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

C22H15Cl2N3O3 — CID 71883732

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H15Cl2N3O3/c23-17-7-5-13(9-18(17)24)11-27-12-14(6-8-21(27)29)25-22(30)16-10-20(28)26-19-4-2-1-3-15(16)19/h1-10,12H,11H2,(H,25,30)(H,26,28)
InChIKeyKZSIMJLGGZXCIU-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.30
Rot. Bonds4

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

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 71883732) has the molecular formula C22H15Cl2N3O3 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID71883732
Molecular FormulaC22H15Cl2N3O3
Molecular Weight440.29 g/mol
Exact Mass439.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H15Cl2N3O3/c23-17-7-5-13(9-18(17)24)11-27-12-14(6-8-21(27)29)25-22(30)16-10-20(28)26-19-4-2-1-3-15(16)19/h1-10,12H,11H2,(H,25,30)(H,26,28)
InChIKeyKZSIMJLGGZXCIU-UHFFFAOYSA-N
XLogP4.30
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,4-dichlorophenyl)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-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 71883732) is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is KZSIMJLGGZXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3/c23-17-7-5-13(9-18(17)24)11-27-12-14(6-8-21(27)29)25-22(30)16-10-20(28)26-19-4-2-1-3-15(16)19/h1-10,12H,11H2,(H,25,30)(H,26,28).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 71883732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).