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

C16H13N3O3 — CID 54706702

IUPAC4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
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)
InChIKeyAQPZLICMZKRPHF-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.56
Rot. Bonds3

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

4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 54706702) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID54706702
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
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)
InChIKeyAQPZLICMZKRPHF-UHFFFAOYSA-N
XLogP1.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
CID 51450902
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 58024570
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
CID 167965401
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide (CID 54706702) is 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide is O=C(NCc1ccncc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is AQPZLICMZKRPHF-UHFFFAOYSA-N. 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).
What are the key properties of 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54706702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).