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

C19H28N2O3 — CID 67858673

IUPAC(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2C(=O)C[C@]2(C)C(C(N)=O)CC[C@@H]12
InChIInChI=1S/C19H28N2O3/c1-18-8-7-15(23)21-14(18)6-3-10-11-4-5-12(17(20)24)19(11,2)9-13(22)16(10)18/h10-12,14,16H,3-9H2,1-2H3,(H2,20,24)(H,21,23)/t10-,11-,12?,14?,16-,18-,19-/m0/s1
InChIKeyDSBZUCYPQZPQBK-ZUAPGOPMSA-N
MW332.44 g/mol
LogP1.79
Rot. Bonds1

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

(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67858673) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID67858673
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2C(=O)C[C@]2(C)C(C(N)=O)CC[C@@H]12
InChIInChI=1S/C19H28N2O3/c1-18-8-7-15(23)21-14(18)6-3-10-11-4-5-12(17(20)24)19(11,2)9-13(22)16(10)18/h10-12,14,16H,3-9H2,1-2H3,(H2,20,24)(H,21,23)/t10-,11-,12?,14?,16-,18-,19-/m0/s1
InChIKeyDSBZUCYPQZPQBK-ZUAPGOPMSA-N
XLogP1.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione
CID 151342664
methyl (5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
CID 99571399
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
(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
(3S,10S,13S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CID 176996177
methyl (3S,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 86733144
(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
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
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
(1R,3aR,3bS,5aS,9aR,9bS,11aR)-N-tert-butyl-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 124748771
(5R,6S,8S,9S,10R,13S,14S,17S)-6-bromo-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CID 70355355
(8S,9S,10R,13S,14S,17S)-6-bromo-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CID 70355358

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 67858673) is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2C(=O)C[C@]2(C)C(C(N)=O)CC[C@@H]12.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is DSBZUCYPQZPQBK-ZUAPGOPMSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18-8-7-15(23)21-14(18)6-3-10-11-4-5-12(17(20)24)19(11,2)9-13(22)16(10)18/h10-12,14,16H,3-9H2,1-2H3,(H2,20,24)(H,21,23)/t10-,11-,12?,14?,16-,18-,19-/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67858673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).