4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H19N3O4 — CID 54679442

IUPAC4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H19N3O4/c1-19-16(23)11-7-3-5-9-13(11)21-18(25)14-15(22)10-6-2-4-8-12(10)20-17(14)24/h3,5,7,9H,2,4,6,8H2,1H3,(H,19,23)(H,21,25)(H2,20,22,24)
InChIKeyXIZBIYGADCFMNH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.57
Rot. Bonds3

About 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54679442) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54679442
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H19N3O4/c1-19-16(23)11-7-3-5-9-13(11)21-18(25)14-15(22)10-6-2-4-8-12(10)20-17(14)24/h3,5,7,9H,2,4,6,8H2,1H3,(H,19,23)(H,21,25)(H2,20,22,24)
InChIKeyXIZBIYGADCFMNH-UHFFFAOYSA-N
XLogP1.57
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54679442) is 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CNC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XIZBIYGADCFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-19-16(23)11-7-3-5-9-13(11)21-18(25)14-15(22)10-6-2-4-8-12(10)20-17(14)24/h3,5,7,9H,2,4,6,8H2,1H3,(H,19,23)(H,21,25)(H2,20,22,24).
What are the key properties of 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(methylcarbamoyl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54679442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).