N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

C18H15ClN2O3 — CID 54687813

IUPACN-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21
InChIInChI=1S/C18H15ClN2O3/c1-21-14-9-5-3-7-12(14)16(22)15(18(21)24)17(23)20-10-11-6-2-4-8-13(11)19/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeyWINPTPZEHIJUNH-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.83
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54687813) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54687813
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21
InChIInChI=1S/C18H15ClN2O3/c1-21-14-9-5-3-7-12(14)16(22)15(18(21)24)17(23)20-10-11-6-2-4-8-13(11)19/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeyWINPTPZEHIJUNH-UHFFFAOYSA-N
XLogP2.83
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
Roquinimex
CID 54676478
Paquinimod
CID 54684617
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54687813) is N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is WINPTPZEHIJUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-21-14-9-5-3-7-12(14)16(22)15(18(21)24)17(23)20-10-11-6-2-4-8-13(11)19/h2-9,22H,10H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54687813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).