7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid

C16H17ClN2O3 — CID 171358573

IUPAC7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(NC2CCCCC2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H17ClN2O3/c17-9-6-7-11-12(8-9)19-15(13(14(11)20)16(21)22)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)(H2,18,19,20)
InChIKeyNNLCLEMNAFNGKM-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.62
Rot. Bonds3

About 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid

7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 171358573) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID171358573
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(NC2CCCCC2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H17ClN2O3/c17-9-6-7-11-12(8-9)19-15(13(14(11)20)16(21)22)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)(H2,18,19,20)
InChIKeyNNLCLEMNAFNGKM-UHFFFAOYSA-N
XLogP3.62
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-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 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid (CID 171358573) is 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(NC2CCCCC2)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NNLCLEMNAFNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-9-6-7-11-12(8-9)19-15(13(14(11)20)16(21)22)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,21,22)(H2,18,19,20).
What are the key properties of 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid?
7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 320.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 171358573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).