Compound: ISOQUINOLINE
SMILES: n1cc2c(cccc2)cc1
InChIKey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
Synonyms: ISOQUINOLINE, 119-65-3, 2-Benzazine, 2-Azanaphthalene, Leucoline, beta-Quinoline, Isochinolin, Benzo[c]pyridine, 3,4-Benzopyridine, Benzo(c)pyridine, FEMA No. 2978, JGX76Y85M6, DTXSID2047644, NSC-3395, DTXCID0027644, CHEBI:16092, RefChem:792283, 204-341-8, 7-methoxy-1,6-dimethylisoquinoline-5,8-dione, 2-Benzanine, .beta.-Quinoline, NSC 3395, MFCD00006898, ISQ, Isochinolin [Czech], CCRIS 5752, EINECS 204-341-8, isochinoline, isoquinolin, UNII-JGX76Y85M6, beta -quinoline, AI3-10035, 2-Azanaphthalene; 2-Benzazine; Benzo[c]pyridine; Benzopyridine; NSC 3395; ss-Quinoline, Isoquinoline, tech, Isoquinoline, 97%, Fasudil Impurity 51, Isoquinoline (Standard), ISOQUINOLINE [MI], EC 204-341-8, ISOQUINOLINE [FHFI], SCHEMBL2080, SCHEMBL9196, SCHEMBL9436, SCHEMBL9654, SCHEMBL18036, SCHEMBL18981, SCHEMBL18987, SCHEMBL18990, WLN: T66 CNJ, CHEMBL12315, SCHEMBL197701, SCHEMBL199205, SCHEMBL448776, SCHEMBL448894, SCHEMBL449142, SCHEMBL449170, SCHEMBL449251, SCHEMBL449453, SCHEMBL449540, SCHEMBL449588, SCHEMBL449810, SCHEMBL449815, SCHEMBL451583, SCHEMBL451616, SCHEMBL451935, SCHEMBL452512, SCHEMBL452611, SCHEMBL452619, SCHEMBL453578, SCHEMBL455076, SCHEMBL455250, orb3025429, orb3029577, SCHEMBL1395705, SCHEMBL7474301, SCHEMBL29355164, SCHEMBL30286035, BDBM60921, FEMA 2978, Isoquinoline, analytical standard, NSC3395, PDK0035, HY-W012732R, Tox21_302503, BBL011362, EBC-48153, MSK159621, SBB060380, STL146455, AKOS000119148, CS-W013448, DB04329, FI01236, HY-W012732, PS-5337, RTE3_000001, Isoquinoline, technical grade, 90-92%, NCGC00188120-01, NCGC00256872-01, CAS-119-65-3, DB-003694, I0182, Isoquinoline(Discontinued,See C4X-136551), NS00010835, ST51046570, EN300-19121, PK04_181276, C06323, F52665, AC-907/25014235, AC-907/25014236, F227722, Q412316, F0001-0310, Z104472854, InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7
Theoretical properties:
molecular_formula: C9H7N
molecular_weight: 129.16 g/mol
exact_mass: 129.057849228 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 12.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
density: 1.097-1.103
Descriptions:
pubchem: Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a member of isoquinolines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.
chebi: An <em>ortho</em>-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
chembl: ISOQUINOLINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isoquinoline is an individual chemical specimen—a heterocyclic aromatic organic compound—as well as the name of a family of many thousands of natural plant alkaloids, any one of which might be referred to as "an isoquinoline". It is a structural isomer of quinoline. Isoquinoline and quinoline are benzopyridines, which are composed of a benzene ring fused to a pyridine ring. In a broader sense, the term isoquinoline is used to make reference to isoquinoline derivatives. 1-Benzylisoquinoline is the structural backbone in many naturally occurring alkaloids such as papaverine. The isoquinoline ring in these natural compound derives from the aromatic amino acid tyrosine.