4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide

C16H12N2O4 — CID 54683801

IUPAC4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H12N2O4/c19-10-5-3-4-9(8-10)17-15(21)13-14(20)11-6-1-2-7-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22)
InChIKeyJFHRQAGLXHCZAR-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.19
Rot. Bonds2

About 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54683801) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54683801
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H12N2O4/c19-10-5-3-4-9(8-10)17-15(21)13-14(20)11-6-1-2-7-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22)
InChIKeyJFHRQAGLXHCZAR-UHFFFAOYSA-N
XLogP2.19
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-(3-hydroxyphenyl)-
CID 836140
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
N-(3-hydroxyphenyl)-2-nitrobenzamide
CID 976723
5-hydroxyquinolin-2(1H)-one
CID 5382213
4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684062
m-(o-Toluidino)phenol
CID 80436
4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
CID 54676449
N-methyl-N-phenyl-1,2-dihydro-4-hydroxy-2-oxo-quinoline-3-carboxamide
CID 54682853
3-[(3-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539465
N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54690410
1-ethyl-4-hydroxy-N-(2-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54677984

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide (CID 54683801) is 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cccc(O)c1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JFHRQAGLXHCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-10-5-3-4-9(8-10)17-15(21)13-14(20)11-6-1-2-7-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22).
What are the key properties of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54683801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).