Molecule ID: 442072

IUPAC Name: (6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Description: The molecule is an ergoline alkaloid comprising ergoline lacking hydrogens at positions 9 and 10 and also having a methyl group attached to the piperidine nitrogen. It derives from a hydride of an ergoline.

SMILES: CN1C[C@H](C(=N)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21

SELFIES: [C][N][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=N][O][C][=C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][Ring1]

InChI: InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 62.1 Ų
- LogP: 1.6