N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

C23H15ClFN3O — CID 5161024

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H15ClFN3O/c24-17-9-5-15(6-10-17)14-26-28-23(29)20-13-22(16-7-11-18(25)12-8-16)27-21-4-2-1-3-19(20)21/h1-14H,(H,28,29)
InChIKeyJEDDGBOQXGNUKV-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.46
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 5161024) has the molecular formula C23H15ClFN3O and a molecular weight of 403.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID5161024
Molecular FormulaC23H15ClFN3O
Molecular Weight403.84 g/mol
Exact Mass403.09
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H15ClFN3O/c24-17-9-5-15(6-10-17)14-26-28-23(29)20-13-22(16-7-11-18(25)12-8-16)27-21-4-2-1-3-19(20)21/h1-14H,(H,28,29)
InChIKeyJEDDGBOQXGNUKV-UHFFFAOYSA-N
XLogP5.46
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.46
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

2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3961948
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 6903341
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
2-(4-fluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 3482852
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 5161024) is N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is JEDDGBOQXGNUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O/c24-17-9-5-15(6-10-17)14-26-28-23(29)20-13-22(16-7-11-18(25)12-8-16)27-21-4-2-1-3-19(20)21/h1-14H,(H,28,29).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 403.84 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5161024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).