5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

C18H15ClN2O3 — CID 54687106

IUPAC5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c1-20(11-7-4-3-5-8-11)17(23)15-16(22)14-12(19)9-6-10-13(14)21(2)18(15)24/h3-10,22H,1-2H3
InChIKeyJCRFYOCGNOHLIJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.17
Rot. Bonds2

About 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54687106) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54687106
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c1-20(11-7-4-3-5-8-11)17(23)15-16(22)14-12(19)9-6-10-13(14)21(2)18(15)24/h3-10,22H,1-2H3
InChIKeyJCRFYOCGNOHLIJ-UHFFFAOYSA-N
XLogP3.17
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
Roquinimex
CID 54676478
Paquinimod
CID 54684617
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54687813
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid m-tolylamide
CID 54679771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54687106) is 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is CN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is JCRFYOCGNOHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-20(11-7-4-3-5-8-11)17(23)15-16(22)14-12(19)9-6-10-13(14)21(2)18(15)24/h3-10,22H,1-2H3.
What are the key properties of 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54687106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).