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

C17H13ClN2O3 — CID 54678957

IUPACN-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O3/c18-12-7-3-1-5-10(12)9-19-16(22)14-15(21)11-6-2-4-8-13(11)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23)
InChIKeyDUTARUSOSJPZRN-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.82
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54678957) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54678957
Molecular FormulaC17H13ClN2O3
Molecular Weight328.75 g/mol
Exact Mass328.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O3/c18-12-7-3-1-5-10(12)9-19-16(22)14-15(21)11-6-2-4-8-13(11)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23)
InChIKeyDUTARUSOSJPZRN-UHFFFAOYSA-N
XLogP2.82
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54678957) is N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccccc1Cl)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DUTARUSOSJPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-12-7-3-1-5-10(12)9-19-16(22)14-15(21)11-6-2-4-8-13(11)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 328.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54678957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).