4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H19ClN2O3 — CID 162635361

IUPAC4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN2O3/c1-10-8-15(14-9-12(19)4-7-16(14)20-10)17(22)21-13-5-2-11(3-6-13)18(23)24/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyHDMKUZSSRYCNQA-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.57
Rot. Bonds3

About 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 162635361) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID162635361
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H19ClN2O3/c1-10-8-15(14-9-12(19)4-7-16(14)20-10)17(22)21-13-5-2-11(3-6-13)18(23)24/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyHDMKUZSSRYCNQA-UHFFFAOYSA-N
XLogP3.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6-chloro-2-methylquinoline-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

Related Compounds

4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
CID 119072201
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011651
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 162635361) is 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2CCC(C(=O)O)CC2)c2cc(Cl)ccc2n1.
What is the InChIKey of 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HDMKUZSSRYCNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-10-8-15(14-9-12(19)4-7-16(14)20-10)17(22)21-13-5-2-11(3-6-13)18(23)24/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162635361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).