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

C17H14N2O4 — CID 54713264

IUPAC4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21
InChIInChI=1S/C17H14N2O4/c1-19-13-8-3-2-7-12(13)15(21)14(17(19)23)16(22)18-10-5-4-6-11(20)9-10/h2-9,20-21H,1H3,(H,18,22)
InChIKeyVHXHZLGGKQKTPF-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.20
Rot. Bonds2

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

4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54713264) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54713264
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21
InChIInChI=1S/C17H14N2O4/c1-19-13-8-3-2-7-12(13)15(21)14(17(19)23)16(22)18-10-5-4-6-11(20)9-10/h2-9,20-21H,1H3,(H,18,22)
InChIKeyVHXHZLGGKQKTPF-UHFFFAOYSA-N
XLogP2.20
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Roquinimex
CID 54676478
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
5-hydroxyquinolin-2(1H)-one
CID 5382213
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
4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684062
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 54713264) is 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is VHXHZLGGKQKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-19-13-8-3-2-7-12(13)15(21)14(17(19)23)16(22)18-10-5-4-6-11(20)9-10/h2-9,20-21H,1H3,(H,18,22).
What are the key properties of 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54713264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).