(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid

C20H30N2O4 — CID 174661325

IUPAC(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC(C(N)=O)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
InChIInChI=1S/C20H30N2O4/c1-19-8-7-12-10(11(19)4-5-13(19)18(25)26)3-6-15-20(12,2)14(17(21)24)9-16(23)22-15/h10-15H,3-9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,26)/t10-,11-,12-,13+,14?,15+,19-,20-/m0/s1
InChIKeyMKTILIUSXRWWNO-CNSMAXSGSA-N
MW362.47 g/mol
LogP1.92
Rot. Bonds2

About (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid

(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid (PubChem CID 174661325) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid.

Molecular Properties

Compound Name(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid
PubChem CID174661325
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC(C(N)=O)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
InChIInChI=1S/C20H30N2O4/c1-19-8-7-12-10(11(19)4-5-13(19)18(25)26)3-6-15-20(12,2)14(17(21)24)9-16(23)22-15/h10-15H,3-9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,26)/t10-,11-,12-,13+,14?,15+,19-,20-/m0/s1
InChIKeyMKTILIUSXRWWNO-CNSMAXSGSA-N
XLogP1.92
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid 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,9aR,9bS,11aS)-9-formyloxy-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-carboxylic acid
CID 58077531
(3aS,3bS,9aS,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-9-carboxylic acid
CID 70396435
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 66800691
(1S,3aS,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 71161580
(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
CID 70585837
5a-amino-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,6,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid
CID 123509774
(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 90243177
(8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 21140471
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
(1S,3aR,3bS,5aS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid;(1S,3aR,3bS,5aS,9aR,9bR,11aS)-9a,11a-dimethyl-1-propanoyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one;methanamine
CID 164970870
1-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 141412105

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid?
The IUPAC name of (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid (CID 174661325) is (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid.
What is the SMILES notation for (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid?
The canonical SMILES for (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid is C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC(C(N)=O)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O.
What is the InChIKey of (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid?
The InChIKey is MKTILIUSXRWWNO-CNSMAXSGSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-19-8-7-12-10(11(19)4-5-13(19)18(25)26)3-6-15-20(12,2)14(17(21)24)9-16(23)22-15/h10-15H,3-9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,26)/t10-,11-,12-,13+,14?,15+,19-,20-/m0/s1.
What are the key properties of (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid?
(1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,5aR,9aS,9bS,11aS)-9-carbamoyl-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-carboxylic acid is sourced from PubChem (CID 174661325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).