4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide

C16H17ClN2O — CID 114545564

IUPAC4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C16H17ClN2O/c1-10-6-7-11(8-10)18-16(20)15-9-13(17)12-4-2-3-5-14(12)19-15/h2-5,9-11H,6-8H2,1H3,(H,18,20)
InChIKeyRYWDTHDOWDAWIZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.81
Rot. Bonds2

About 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide

4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide (PubChem CID 114545564) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
PubChem CID114545564
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C16H17ClN2O/c1-10-6-7-11(8-10)18-16(20)15-9-13(17)12-4-2-3-5-14(12)19-15/h2-5,9-11H,6-8H2,1H3,(H,18,20)
InChIKeyRYWDTHDOWDAWIZ-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide 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-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114540556
(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
CID 63841179
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
4-amino-N-(3-methoxycyclopentyl)quinoline-2-carboxamide
CID 103099401
(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide (CID 114545564) is 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide is CC1CCC(NC(=O)c2cc(Cl)c3ccccc3n2)C1.
What is the InChIKey of 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
The InChIKey is RYWDTHDOWDAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-6-7-11(8-10)18-16(20)15-9-13(17)12-4-2-3-5-14(12)19-15/h2-5,9-11H,6-8H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide?
4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide is sourced from PubChem (CID 114545564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).