3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid

C16H18N2O2 — CID 63041878

IUPAC3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ccnc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-2,6-9,11-12H,3-5,10H2,(H,17,18)(H,19,20)
InChIKeySJVNMBRPBUFNKY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.29
Rot. Bonds3

About 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid

3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 63041878) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
PubChem CID63041878
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ccnc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-2,6-9,11-12H,3-5,10H2,(H,17,18)(H,19,20)
InChIKeySJVNMBRPBUFNKY-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(quinolin-4-ylamino)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

cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
N-(1-oxothian-4-yl)quinolin-4-amine
CID 113480106
N-(3-cyclopropylcyclohexyl)quinolin-5-amine
CID 64595220
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(2-chlorocyclohexyl)quinolin-4-amine
CID 65028987
N-(2,3-dimethylcyclopentyl)quinolin-4-amine
CID 64923219
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
CID 123272083
(quinolin-4-ylamino) benzoate
CID 23468711
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid (CID 63041878) is 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2ccnc3ccccc23)C1.
What is the InChIKey of 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SJVNMBRPBUFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-2,6-9,11-12H,3-5,10H2,(H,17,18)(H,19,20).
What are the key properties of 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid?
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63041878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).