2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide

C23H17FN4O — CID 5235902

IUPAC2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C23H17FN4O/c1-15(16-10-12-25-13-11-16)27-28-23(29)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-14H,1H3,(H,28,29)
InChIKeyFPUYKLVFWQQZRG-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide

2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide (PubChem CID 5235902) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
PubChem CID5235902
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C23H17FN4O/c1-15(16-10-12-25-13-11-16)27-28-23(29)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-14H,1H3,(H,28,29)
InChIKeyFPUYKLVFWQQZRG-UHFFFAOYSA-N
XLogP4.59
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide (CID 5235902) is 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide?
The InChIKey is FPUYKLVFWQQZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-15(16-10-12-25-13-11-16)27-28-23(29)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-14H,1H3,(H,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 5235902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).