2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate

C16H12N3O3- — CID 51450902

IUPAC2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
SMILESO=C(NCc1ccncc1)c1c([O-])c2ccccc2[nH]c1=O
InChIInChI=1S/C16H13N3O3/c20-14-11-3-1-2-4-12(11)19-16(22)13(14)15(21)18-9-10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)(H2,19,20,22)/p-1
InChIKeyAQPZLICMZKRPHF-UHFFFAOYSA-M
MW294.29 g/mol
LogP0.93
Rot. Bonds3

About 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate

2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate (PubChem CID 51450902) has the molecular formula C16H12N3O3- and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate.

Molecular Properties

Compound Name2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
PubChem CID51450902
Molecular FormulaC16H12N3O3-
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
SMILESO=C(NCc1ccncc1)c1c([O-])c2ccccc2[nH]c1=O
InChIInChI=1S/C16H13N3O3/c20-14-11-3-1-2-4-12(11)19-16(22)13(14)15(21)18-9-10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)(H2,19,20,22)/p-1
InChIKeyAQPZLICMZKRPHF-UHFFFAOYSA-M
XLogP0.93
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
CID 167965401
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
N-[(4-pyridin-4-ylphenyl)methyl]-9H-carbazole-2-carboxamide
CID 134144670
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide
CID 17469037
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate?
The IUPAC name of 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate (CID 51450902) is 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate.
What is the SMILES notation for 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate?
The canonical SMILES for 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate is O=C(NCc1ccncc1)c1c([O-])c2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate?
The InChIKey is AQPZLICMZKRPHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O3/c20-14-11-3-1-2-4-12(11)19-16(22)13(14)15(21)18-9-10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)(H2,19,20,22)/p-1.
What are the key properties of 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate?
2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate has a molecular weight of 294.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate is sourced from PubChem (CID 51450902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).