(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide

C34H44N2O2 — CID 67750872

IUPAC(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(CCC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C34H44N2O2/c1-32-19-18-30(37)36-29(32)14-13-26-27(32)16-20-33(2)28(26)17-22-34(33,31(35)38)21-15-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,25-29H,13-22H2,1-2H3,(H2,35,38)(H,36,37)/t26-,27-,28+,29?,32-,33+,34?/m1/s1
InChIKeyUFLCQZMXBXSORD-ZHDHUHRNSA-N
MW512.74 g/mol
LogP6.59
Rot. Bonds6

About (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide

(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67750872) has the molecular formula C34H44N2O2 and a molecular weight of 512.74 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID67750872
Molecular FormulaC34H44N2O2
Molecular Weight512.74 g/mol
Exact Mass512.34
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(CCC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C34H44N2O2/c1-32-19-18-30(37)36-29(32)14-13-26-27(32)16-20-33(2)28(26)17-22-34(33,31(35)38)21-15-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,25-29H,13-22H2,1-2H3,(H2,35,38)(H,36,37)/t26-,27-,28+,29?,32-,33+,34?/m1/s1
InChIKeyUFLCQZMXBXSORD-ZHDHUHRNSA-N
XLogP6.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-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,9aR,9bR,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-N-propan-2-yl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 67750639
phenyl (1R,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylate
CID 71502706
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-N-[2-(4-methylphenyl)-1-phenylethyl]-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 67750876
methyl (2S)-2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-3-phenylpropanoate
CID 10994470
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(2-aminobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 57245814
benzyl N-[2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]propyl]carbamate
CID 70269255
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 71221116
N,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 23555874
(1R,3aS,3bR,5aR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-1-prop-2-enyl-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinolin-7-one
CID 67764423
2-[[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]oxy]acetic acid
CID 86751697
N,N-diethyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 13391386
(1S,3aS,3bS,5aR,9aR,9bS,10S,11aS)-N-benzhydryl-10-hydroxy-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 10767721

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide (CID 67750872) is (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide is C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(CCC(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is UFLCQZMXBXSORD-ZHDHUHRNSA-N. The full InChI is InChI=1S/C34H44N2O2/c1-32-19-18-30(37)36-29(32)14-13-26-27(32)16-20-33(2)28(26)17-22-34(33,31(35)38)21-15-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,25-29H,13-22H2,1-2H3,(H2,35,38)(H,36,37)/t26-,27-,28+,29?,32-,33+,34?/m1/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide?
(3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 512.74 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-1-(3,3-diphenylpropyl)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67750872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).