4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide

C18H16N2O4 — CID 54717849

IUPAC4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccc(O)cc1
InChIInChI=1S/C18H16N2O4/c1-19(11-7-9-12(21)10-8-11)17(23)15-16(22)13-5-3-4-6-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKeyJWKWHXCWAUZAOS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.23
Rot. Bonds2

About 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide (PubChem CID 54717849) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide
PubChem CID54717849
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccc(O)cc1
InChIInChI=1S/C18H16N2O4/c1-19(11-7-9-12(21)10-8-11)17(23)15-16(22)13-5-3-4-6-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKeyJWKWHXCWAUZAOS-UHFFFAOYSA-N
XLogP2.23
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
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
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
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide (CID 54717849) is 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide is CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is JWKWHXCWAUZAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19(11-7-9-12(21)10-8-11)17(23)15-16(22)13-5-3-4-6-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3.
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54717849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).