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

C24H18ClN3O — CID 3563023

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O/c1-16(17-11-13-19(25)14-12-17)27-28-24(29)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,1H3,(H,28,29)
InChIKeyNIBHQGNTSXEUMB-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.71
Rot. Bonds4

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

N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 3563023) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID3563023
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O/c1-16(17-11-13-19(25)14-12-17)27-28-24(29)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,1H3,(H,28,29)
InChIKeyNIBHQGNTSXEUMB-UHFFFAOYSA-N
XLogP5.71
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.71
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-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6063803
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651
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-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (CID 3563023) is N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is NIBHQGNTSXEUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c1-16(17-11-13-19(25)14-12-17)27-28-24(29)21-15-23(18-7-3-2-4-8-18)26-22-10-6-5-9-20(21)22/h2-15H,1H3,(H,28,29).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 5.71, 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-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3563023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).