N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide

C25H20ClN3O — CID 5006267

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)27-24)25(30)29-28-17(2)18-11-13-20(26)14-12-18/h3-15H,1-2H3,(H,29,30)
InChIKeyBVTFQSYOOVAMFN-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.02
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide

N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 5006267) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID5006267
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)27-24)25(30)29-28-17(2)18-11-13-20(26)14-12-18/h3-15H,1-2H3,(H,29,30)
InChIKeyBVTFQSYOOVAMFN-UHFFFAOYSA-N
XLogP6.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6063803
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 5006267) is N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is BVTFQSYOOVAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-16-7-9-19(10-8-16)24-15-22(21-5-3-4-6-23(21)27-24)25(30)29-28-17(2)18-11-13-20(26)14-12-18/h3-15H,1-2H3,(H,29,30).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5006267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).