N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

C25H20ClN3O2 — CID 25470751

IUPACN-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C25H20ClN3O2/c1-15-7-9-17(10-8-15)24-14-20(19-5-3-4-6-22(19)29-24)25(31)28-18-11-12-23(21(26)13-18)27-16(2)30/h3-14H,1-2H3,(H,27,30)(H,28,31)
InChIKeyHNZKGYJLNQEOJW-UHFFFAOYSA-N
MW429.91 g/mol
LogP6.07
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 25470751) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID25470751
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C25H20ClN3O2/c1-15-7-9-17(10-8-15)24-14-20(19-5-3-4-6-22(19)29-24)25(31)28-18-11-12-23(21(26)13-18)27-16(2)30/h3-14H,1-2H3,(H,27,30)(H,28,31)
InChIKeyHNZKGYJLNQEOJW-UHFFFAOYSA-N
XLogP6.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 25470751) is N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HNZKGYJLNQEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-15-7-9-17(10-8-15)24-14-20(19-5-3-4-6-22(19)29-24)25(31)28-18-11-12-23(21(26)13-18)27-16(2)30/h3-14H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 25470751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).