(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide

C31H43N3O3 — CID 67853035

IUPAC(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(C(C)(C)NC(=O)[C@H]2C[C@H]3N(C)C(=O)C=C[C@]3(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@H]23)cc1
InChIInChI=1S/C31H43N3O3/c1-19(35)32-21-11-9-20(10-12-21)29(2,3)33-28(37)22-18-25-31(5,17-14-26(36)34(25)6)24-13-16-30(4)15-7-8-23(30)27(22)24/h9-12,14,17,22-25,27H,7-8,13,15-16,18H2,1-6H3,(H,32,35)(H,33,37)/t22-,23-,24-,25+,27-,30-,31+/m0/s1
InChIKeyCGOKHFCIKXILJN-ARAZKKDRSA-N
MW505.70 g/mol
LogP5.25
Rot. Bonds4

About (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide

(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide (PubChem CID 67853035) has the molecular formula C31H43N3O3 and a molecular weight of 505.70 g/mol. Its IUPAC name is (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide
PubChem CID67853035
Molecular FormulaC31H43N3O3
Molecular Weight505.70 g/mol
Exact Mass505.33
IUPAC Name(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(C(C)(C)NC(=O)[C@H]2C[C@H]3N(C)C(=O)C=C[C@]3(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@H]23)cc1
InChIInChI=1S/C31H43N3O3/c1-19(35)32-21-11-9-20(10-12-21)29(2,3)33-28(37)22-18-25-31(5,17-14-26(36)34(25)6)24-13-16-30(4)15-7-8-23(30)27(22)24/h9-12,14,17,22-25,27H,7-8,13,15-16,18H2,1-6H3,(H,32,35)(H,33,37)/t22-,23-,24-,25+,27-,30-,31+/m0/s1
InChIKeyCGOKHFCIKXILJN-ARAZKKDRSA-N
XLogP5.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide 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

(3aS,3bS,4S,5aR,9aR,9bS,11aS)-4,9a,11a-trimethyl-6-pentyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 18660651
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(4-tert-butylphenyl)cyclopentyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67596262
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-[4-tert-butyl-2-(trifluoromethyl)phenyl]cyclopentyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67597490
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67599052
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 11364141
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11339905
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(4-cyanophenyl)acetamide
CID 68669439
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-4-hydroxy-N,2-dimethylbenzenesulfonamide
CID 91371771
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide
CID 91130377
(3aS,3bS,9aS,9bR,11aS)-N-(4-methoxyphenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
CID 91225941
N,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 22953163
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(1,3-benzodioxol-5-yl)cyclohexyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 57142621

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide?
The IUPAC name of (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide (CID 67853035) is (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide.
What is the SMILES notation for (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide?
The canonical SMILES for (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide is CC(=O)Nc1ccc(C(C)(C)NC(=O)[C@H]2C[C@H]3N(C)C(=O)C=C[C@]3(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@H]23)cc1.
What is the InChIKey of (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide?
The InChIKey is CGOKHFCIKXILJN-ARAZKKDRSA-N. The full InChI is InChI=1S/C31H43N3O3/c1-19(35)32-21-11-9-20(10-12-21)29(2,3)33-28(37)22-18-25-31(5,17-14-26(36)34(25)6)24-13-16-30(4)15-7-8-23(30)27(22)24/h9-12,14,17,22-25,27H,7-8,13,15-16,18H2,1-6H3,(H,32,35)(H,33,37)/t22-,23-,24-,25+,27-,30-,31+/m0/s1.
What are the key properties of (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide?
(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide has a molecular weight of 505.70 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide is sourced from PubChem (CID 67853035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).