N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

C17H14N2O3 — CID 169084828

IUPACN-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-10-6-7-11(20)8-15(10)19-17(22)13-9-18-14-5-3-2-4-12(14)16(13)21/h2-9,20H,1H3,(H,18,21)(H,19,22)
InChIKeyGGPOEJGRAMMOEN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.79
Rot. Bonds2

About N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 169084828) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID169084828
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-10-6-7-11(20)8-15(10)19-17(22)13-9-18-14-5-3-2-4-12(14)16(13)21/h2-9,20H,1H3,(H,18,21)(H,19,22)
InChIKeyGGPOEJGRAMMOEN-UHFFFAOYSA-N
XLogP2.79
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55965165
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87101826
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
N-[2,4-bis(1,1-diiodo-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 130421660
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396
N-[4-[dimethyl(trideuteriomethyl)silyl]-5-hydroxy-2-[methyl-bis(trideuteriomethyl)silyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 161023166

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 169084828) is N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1ccc(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GGPOEJGRAMMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-6-7-11(20)8-15(10)19-17(22)13-9-18-14-5-3-2-4-12(14)16(13)21/h2-9,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 169084828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).