N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C23H16ClN3O — CID 6884313

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16ClN3O/c24-18-10-6-7-16(13-18)15-25-27-23(28)20-14-22(17-8-2-1-3-9-17)26-21-12-5-4-11-19(20)21/h1-15H,(H,27,28)/b25-15+
InChIKeyFKDVBRSUKGIESW-MFKUBSTISA-N
MW385.85 g/mol
LogP5.32
Rot. Bonds4

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 6884313) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID6884313
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16ClN3O/c24-18-10-6-7-16(13-18)15-25-27-23(28)20-14-22(17-8-2-1-3-9-17)26-21-12-5-4-11-19(20)21/h1-15H,(H,27,28)/b25-15+
InChIKeyFKDVBRSUKGIESW-MFKUBSTISA-N
XLogP5.32
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.32
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-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 6884313) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is FKDVBRSUKGIESW-MFKUBSTISA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-18-10-6-7-16(13-18)15-25-27-23(28)20-14-22(17-8-2-1-3-9-17)26-21-12-5-4-11-19(20)21/h1-15H,(H,27,28)/b25-15+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).