N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

C22H16ClN3O3 — CID 55804082

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H16ClN3O3/c23-18-7-3-1-5-14(18)12-26-13-15(9-10-21(26)28)24-22(29)17-11-20(27)25-19-8-4-2-6-16(17)19/h1-11,13H,12H2,(H,24,29)(H,25,27)
InChIKeySXKGFHYVJBXOAO-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.64
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55804082) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55804082
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H16ClN3O3/c23-18-7-3-1-5-14(18)12-26-13-15(9-10-21(26)28)24-22(29)17-11-20(27)25-19-8-4-2-6-16(17)19/h1-11,13H,12H2,(H,24,29)(H,25,27)
InChIKeySXKGFHYVJBXOAO-UHFFFAOYSA-N
XLogP3.64
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-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-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 55804082) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SXKGFHYVJBXOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-18-7-3-1-5-14(18)12-26-13-15(9-10-21(26)28)24-22(29)17-11-20(27)25-19-8-4-2-6-16(17)19/h1-11,13H,12H2,(H,24,29)(H,25,27).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55804082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).