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

C16H13N3O3 — CID 135563908

IUPAC4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESNC(=O)c1c(O)c2ccccc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C16H13N3O3/c17-15(21)13-14(20)11-5-1-2-6-12(11)19(16(13)22)9-10-4-3-7-18-8-10/h1-8,20H,9H2,(H2,17,21)
InChIKeyXUGWWXOCJIYWNY-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.25
Rot. Bonds3

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

4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide (PubChem CID 135563908) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
PubChem CID135563908
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESNC(=O)c1c(O)c2ccccc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C16H13N3O3/c17-15(21)13-14(20)11-5-1-2-6-12(11)19(16(13)22)9-10-4-3-7-18-8-10/h1-8,20H,9H2,(H2,17,21)
InChIKeyXUGWWXOCJIYWNY-UHFFFAOYSA-N
XLogP1.25
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
CID 71592126
[3-octadecanoyl-1-(pyridin-3-ylmethyl)indol-2-yl] hydrogen carbonate
CID 67810629
N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54712910
1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
CID 21260607
1-benzyl-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxyquinolin-2-one
CID 135697392
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide (CID 135563908) is 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide is NC(=O)c1c(O)c2ccccc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The InChIKey is XUGWWXOCJIYWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-15(21)13-14(20)11-5-1-2-6-12(11)19(16(13)22)9-10-4-3-7-18-8-10/h1-8,20H,9H2,(H2,17,21).
What are the key properties of 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 135563908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).