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

C23H18FN3O — CID 112761308

IUPAC2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C23H18FN3O/c1-15(16-10-12-25-13-11-16)26-23(28)20-14-22(17-6-8-18(24)9-7-17)27-21-5-3-2-4-19(20)21/h2-15H,1H3,(H,26,28)
InChIKeyMCVTVIJLWOYJPD-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.93
Rot. Bonds4

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

2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 112761308) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
PubChem CID112761308
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1
InChIInChI=1S/C23H18FN3O/c1-15(16-10-12-25-13-11-16)26-23(28)20-14-22(17-6-8-18(24)9-7-17)27-21-5-3-2-4-19(20)21/h2-15H,1H3,(H,26,28)
InChIKeyMCVTVIJLWOYJPD-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166220183
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 124861697

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide (CID 112761308) is 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is MCVTVIJLWOYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-15(16-10-12-25-13-11-16)26-23(28)20-14-22(17-6-8-18(24)9-7-17)27-21-5-3-2-4-19(20)21/h2-15H,1H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 112761308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).