[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone

C23H24N2O2 — CID 58294403

IUPAC[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone
SMILESCOc1ccc2c(c1)CC[C@@H]1C2CCCN1C(=O)c1ccc2c(c1)N=CC2
InChIInChI=1S/C23H24N2O2/c1-27-18-7-8-19-16(13-18)6-9-22-20(19)3-2-12-25(22)23(26)17-5-4-15-10-11-24-21(15)14-17/h4-5,7-8,11,13-14,20,22H,2-3,6,9-10,12H2,1H3/t20?,22-/m1/s1
InChIKeyUIWIDYSPPPGYID-LWMIZPGFSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds2

About [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone

[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone (PubChem CID 58294403) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone
PubChem CID58294403
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone
SMILESCOc1ccc2c(c1)CC[C@@H]1C2CCCN1C(=O)c1ccc2c(c1)N=CC2
InChIInChI=1S/C23H24N2O2/c1-27-18-7-8-19-16(13-18)6-9-22-20(19)3-2-12-25(22)23(26)17-5-4-15-10-11-24-21(15)14-17/h4-5,7-8,11,13-14,20,22H,2-3,6,9-10,12H2,1H3/t20?,22-/m1/s1
InChIKeyUIWIDYSPPPGYID-LWMIZPGFSA-N
XLogP4.29
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS)-4-(3H-indole-6-carbonyl)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-8-carboxamide
CID 58294613
[(4aR,9aS)-6-hydroxy-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294515
3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
CID 58374925
[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294482
[(4aR,9aS)-6-(1-methylpyrazol-4-yl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294495
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 58294448
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2H-benzotriazol-5-yl)methanone
CID 67969110
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1,2-dihydroquinoxalin-6-yl)methanone
CID 141297422
5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one
CID 86654129
2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597

Frequently Asked Questions

What is the IUPAC name of [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone?
The IUPAC name of [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone (CID 58294403) is [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone.
What is the SMILES notation for [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone?
The canonical SMILES for [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone is COc1ccc2c(c1)CC[C@@H]1C2CCCN1C(=O)c1ccc2c(c1)N=CC2.
What is the InChIKey of [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone?
The InChIKey is UIWIDYSPPPGYID-LWMIZPGFSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-18-7-8-19-16(13-18)6-9-22-20(19)3-2-12-25(22)23(26)17-5-4-15-10-11-24-21(15)14-17/h4-5,7-8,11,13-14,20,22H,2-3,6,9-10,12H2,1H3/t20?,22-/m1/s1.
What are the key properties of [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone?
[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone is sourced from PubChem (CID 58294403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).