2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C25H21FN2O — CID 11646686

IUPAC2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2cccc(F)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21FN2O/c1-2-22(17-9-4-3-5-10-17)28-25(29)21-16-24(18-11-8-12-19(26)15-18)27-23-14-7-6-13-20(21)23/h3-16,22H,2H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyOUIWIZKSXFQWNO-QFIPXVFZSA-N
MW384.45 g/mol
LogP5.92
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 11646686) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID11646686
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2cccc(F)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21FN2O/c1-2-22(17-9-4-3-5-10-17)28-25(29)21-16-24(18-11-8-12-19(26)15-18)27-23-14-7-6-13-20(21)23/h3-16,22H,2H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyOUIWIZKSXFQWNO-QFIPXVFZSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10577234
N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 10597112
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 11646686) is 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1cc(-c2cccc(F)c2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is OUIWIZKSXFQWNO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21FN2O/c1-2-22(17-9-4-3-5-10-17)28-25(29)21-16-24(18-11-8-12-19(26)15-18)27-23-14-7-6-13-20(21)23/h3-16,22H,2H2,1H3,(H,28,29)/t22-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 11646686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).