4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

C17H13ClN2O3 — CID 141191896

IUPAC4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(Cl)c(C(=O)O)c(=O)n2Cc1ccccn1
InChIInChI=1S/C17H13ClN2O3/c1-10-5-6-13-12(8-10)15(18)14(17(22)23)16(21)20(13)9-11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyWTIKPUIWTJTGQB-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 141191896) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
PubChem CID141191896
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(Cl)c(C(=O)O)c(=O)n2Cc1ccccn1
InChIInChI=1S/C17H13ClN2O3/c1-10-5-6-13-12(8-10)15(18)14(17(22)23)16(21)20(13)9-11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H,22,23)
InChIKeyWTIKPUIWTJTGQB-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191905
ethyl 6-methyl-2-oxo-4-piperazin-1-yl-1-(pyridin-2-ylmethyl)quinoline-3-carboxylate
CID 59740514
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (CID 141191896) is 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is Cc1ccc2c(c1)c(Cl)c(C(=O)O)c(=O)n2Cc1ccccn1.
What is the InChIKey of 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is WTIKPUIWTJTGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10-5-6-13-12(8-10)15(18)14(17(22)23)16(21)20(13)9-11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 141191896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).