Molecule ID: 16746309

IUPAC Name: 8-[1-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropyl]-5,7-dimethoxy-4-pentylchromen-2-one

Description: The molecule is a member of the class of coumarins that is 5,7-dimethoxy-2H-chromen-2-one substituted by a pentyl group and a 1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl group at positions 4 and 8, respectively. It is a member of coumarins, an aromatic ether, a member of pyrrolidines and a tertiary amino compound.

SMILES: CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12

SELFIES: [C][C][C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][N][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][Ring2][Ring1][O]

InChI: InChI=1S/C31H42N2O4/c1-6-7-8-11-23-20-28(34)37-31-29(23)26(35-4)21-27(36-5)30(31)25(16-19-33-17-9-10-18-33)22-12-14-24(15-13-22)32(2)3/h12-15,20-21,25H,6-11,16-19H2,1-5H3

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 6.5