7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide

C16H17ClN2O2 — CID 31883572

IUPAC7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
SMILESCc1nc2cc(Cl)ccc2cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H17ClN2O2/c1-10-14(16(20)18-9-13-3-2-6-21-13)7-11-4-5-12(17)8-15(11)19-10/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyJHXCUTQOTHCKBZ-ZDUSSCGKSA-N
MW304.78 g/mol
LogP3.11
Rot. Bonds3

About 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide

7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide (PubChem CID 31883572) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
PubChem CID31883572
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
SMILESCc1nc2cc(Cl)ccc2cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H17ClN2O2/c1-10-14(16(20)18-9-13-3-2-6-21-13)7-11-4-5-12(17)8-15(11)19-10/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyJHXCUTQOTHCKBZ-ZDUSSCGKSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-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

6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
6-chloro-2-(4-chloro-2-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184968
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
6-chloro-2-(4-fluoro-3-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184972

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide?
The IUPAC name of 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide (CID 31883572) is 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide is Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide?
The InChIKey is JHXCUTQOTHCKBZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-14(16(20)18-9-13-3-2-6-21-13)7-11-4-5-12(17)8-15(11)19-10/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide?
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 31883572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).