N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C17H13FN2O3 — CID 54687733

IUPACN-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13FN2O3/c18-11-5-3-4-10(8-11)9-19-16(22)14-15(21)12-6-1-2-7-13(12)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23)
InChIKeyZERHVDQNZKJXBQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54687733) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54687733
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13FN2O3/c18-11-5-3-4-10(8-11)9-19-16(22)14-15(21)12-6-1-2-7-13(12)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23)
InChIKeyZERHVDQNZKJXBQ-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54687733) is N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1cccc(F)c1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZERHVDQNZKJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-11-5-3-4-10(8-11)9-19-16(22)14-15(21)12-6-1-2-7-13(12)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54687733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).