[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone

C24H26N2O2 — CID 58294673

IUPAC[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1CC[C@H]1C2CCCN1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1
InChIKeyUHIDIMBWIAJJQY-UGNFMNBCSA-N
MW374.48 g/mol
LogP4.52
Rot. Bonds2

About [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone

[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone (PubChem CID 58294673) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone
PubChem CID58294673
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1cccc2c1CC[C@H]1C2CCCN1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1
InChIKeyUHIDIMBWIAJJQY-UGNFMNBCSA-N
XLogP4.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone (CID 58294673) is [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone is COc1cccc2c1CC[C@H]1C2CCCN1C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is UHIDIMBWIAJJQY-UGNFMNBCSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-25-15-20(18-7-3-4-10-21(18)25)24(27)26-14-6-9-17-16-8-5-11-23(28-2)19(16)12-13-22(17)26/h3-5,7-8,10-11,15,17,22H,6,9,12-14H2,1-2H3/t17?,22-/m0/s1.
What are the key properties of [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone?
[(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 374.48 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS)-7-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 58294673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).