4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H20N2O4 — CID 119229415

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1CC(C(=O)NC2CCC(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-9-13(12-3-1-2-4-14(12)19-15)16(21)18-11-7-5-10(6-8-11)17(22)23/h1-4,10-11,13H,5-9H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyORYQIQTWZFHZCP-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.87
Rot. Bonds3

About 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229415) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229415
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1CC(C(=O)NC2CCC(C(=O)O)CC2)c2ccccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-9-13(12-3-1-2-4-14(12)19-15)16(21)18-11-7-5-10(6-8-11)17(22)23/h1-4,10-11,13H,5-9H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyORYQIQTWZFHZCP-UHFFFAOYSA-N
XLogP1.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229415) is 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C1CC(C(=O)NC2CCC(C(=O)O)CC2)c2ccccc2N1.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ORYQIQTWZFHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-9-13(12-3-1-2-4-14(12)19-15)16(21)18-11-7-5-10(6-8-11)17(22)23/h1-4,10-11,13H,5-9H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).