3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C13H14N2O — CID 90893298

IUPAC3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)C1C=CCC1CN2
InChIInChI=1S/C13H14N2O/c14-13(16)8-4-5-12-11(6-8)10-3-1-2-9(10)7-15-12/h1,3-6,9-10,15H,2,7H2,(H2,14,16)
InChIKeyVAPDPRYYTVGAFO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.87
Rot. Bonds1

About 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 90893298) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

Compound Name3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
PubChem CID90893298
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)C1C=CCC1CN2
InChIInChI=1S/C13H14N2O/c14-13(16)8-4-5-12-11(6-8)10-3-1-2-9(10)7-15-12/h1,3-6,9-10,15H,2,7H2,(H2,14,16)
InChIKeyVAPDPRYYTVGAFO-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-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,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 46891347
2-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yloxy)acetic acid
CID 91256397
(3aS,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 11891814
4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17243636
4-(1H-indol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17242497
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
(3aS,4R,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,8-dicarboxylic acid
CID 7108079
(3aS,4S,9bR)-4-tert-butyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 46891348
(3aR,4S,9bS)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 11863661
(3aR,4R,9bR)-4-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 7108407
(3aS,4S,9bR)-4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 707332
4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2857906

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The IUPAC name of 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 90893298) is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.
What is the SMILES notation for 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The canonical SMILES for 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is NC(=O)c1ccc2c(c1)C1C=CCC1CN2.
What is the InChIKey of 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
The InChIKey is VAPDPRYYTVGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(16)8-4-5-12-11(6-8)10-3-1-2-9(10)7-15-12/h1,3-6,9-10,15H,2,7H2,(H2,14,16).
What are the key properties of 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 90893298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).