2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid

C16H18N2O2 — CID 114546973

IUPAC2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
SMILESCC1CCC(Nc2ccc3c(C(=O)O)cccc3n2)C1
InChIInChI=1S/C16H18N2O2/c1-10-5-6-11(9-10)17-15-8-7-12-13(16(19)20)3-2-4-14(12)18-15/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyJTVHRICCXVUZOR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.53
Rot. Bonds3

About 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid

2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid (PubChem CID 114546973) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
PubChem CID114546973
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
SMILESCC1CCC(Nc2ccc3c(C(=O)O)cccc3n2)C1
InChIInChI=1S/C16H18N2O2/c1-10-5-6-11(9-10)17-15-8-7-12-13(16(19)20)3-2-4-14(12)18-15/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyJTVHRICCXVUZOR-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
CID 70964841
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
CID 114542004
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
CID 80715673
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
CID 174843899
2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
CID 64597121
2-[(4-methylcyclohexyl)amino]quinoline-4-carbothioamide
CID 63885335
2-(cyclopentylamino)quinolin-5-ol
CID 137253118
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid (CID 114546973) is 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid is CC1CCC(Nc2ccc3c(C(=O)O)cccc3n2)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid?
The InChIKey is JTVHRICCXVUZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-6-11(9-10)17-15-8-7-12-13(16(19)20)3-2-4-14(12)18-15/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid?
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid is sourced from PubChem (CID 114546973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).