(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C30H43N3O3 — CID 11134776

IUPAC(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C30H43N3O3/c1-29-16-14-22-20(10-13-25-30(22,2)17-15-26(34)33(25)4)21(29)11-12-23(29)27(35)32-24(28(36)31-3)18-19-8-6-5-7-9-19/h5-9,20-25H,10-18H2,1-4H3,(H,31,36)(H,32,35)/t20-,21-,22-,23+,24+,25+,29-,30+/m0/s1
InChIKeyTXVZOAVZJTZHHV-QYLQASMWSA-N
MW493.69 g/mol
LogP3.94
Rot. Bonds5

About (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 11134776) has the molecular formula C30H43N3O3 and a molecular weight of 493.69 g/mol. Its IUPAC name is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID11134776
Molecular FormulaC30H43N3O3
Molecular Weight493.69 g/mol
Exact Mass493.33
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C30H43N3O3/c1-29-16-14-22-20(10-13-25-30(22,2)17-15-26(34)33(25)4)21(29)11-12-23(29)27(35)32-24(28(36)31-3)18-19-8-6-5-7-9-19/h5-9,20-25H,10-18H2,1-4H3,(H,31,36)(H,32,35)/t20-,21-,22-,23+,24+,25+,29-,30+/m0/s1
InChIKeyTXVZOAVZJTZHHV-QYLQASMWSA-N
XLogP3.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.69
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-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

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1,2-diphenylethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67750567
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[2-(4-methylphenyl)-1-phenylethyl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67750832
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67750852
(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 118718167
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
(3aS,3bS,9aR,9bR,11aS)-N-(4-fluorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69356109
(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-(1,1,1-trifluoro-3-methylbut-3-en-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693344
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-(1,1,1-trifluoro-3-methylbut-3-en-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693341
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-(4,4,4-trifluoro-3-methylbutan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693610
1-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-phenylurea
CID 22871992
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(trifluoromethyl)but-3-en-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693305
1-[1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl]-3-methylurea
CID 22871968

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 11134776) is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is TXVZOAVZJTZHHV-QYLQASMWSA-N. The full InChI is InChI=1S/C30H43N3O3/c1-29-16-14-22-20(10-13-25-30(22,2)17-15-26(34)33(25)4)21(29)11-12-23(29)27(35)32-24(28(36)31-3)18-19-8-6-5-7-9-19/h5-9,20-25H,10-18H2,1-4H3,(H,31,36)(H,32,35)/t20-,21-,22-,23+,24+,25+,29-,30+/m0/s1.
What are the key properties of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 493.69 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 11134776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).