4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid

C17H20N2O2 — CID 63510528

IUPAC4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
SMILESCC1CCC(Nc2c(C(=O)O)cnc3ccccc23)CC1
InChIInChI=1S/C17H20N2O2/c1-11-6-8-12(9-7-11)19-16-13-4-2-3-5-15(13)18-10-14(16)17(20)21/h2-5,10-12H,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyDCGLPQIYMLJSEI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.92
Rot. Bonds3

About 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid

4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid (PubChem CID 63510528) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
PubChem CID63510528
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
SMILESCC1CCC(Nc2c(C(=O)O)cnc3ccccc23)CC1
InChIInChI=1S/C17H20N2O2/c1-11-6-8-12(9-7-11)19-16-13-4-2-3-5-15(13)18-10-14(16)17(20)21/h2-5,10-12H,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyDCGLPQIYMLJSEI-UHFFFAOYSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylcyclohexyl)amino]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

Related Compounds

4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine
CID 114543465
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(cyclopentylamino)cinnoline-3-carboxylic acid
CID 64625154
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid (CID 63510528) is 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid is CC1CCC(Nc2c(C(=O)O)cnc3ccccc23)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid?
The InChIKey is DCGLPQIYMLJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-8-12(9-7-11)19-16-13-4-2-3-5-15(13)18-10-14(16)17(20)21/h2-5,10-12H,6-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid?
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 63510528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).