1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one

C22H18FNO — CID 102583572

IUPAC1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
SMILESO=C1CC(c2ccccc2)c2cc(F)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H18FNO/c23-18-11-12-21-20(13-18)19(17-9-5-2-6-10-17)14-22(25)24(21)15-16-7-3-1-4-8-16/h1-13,19H,14-15H2
InChIKeyQXEABOBAECFFLL-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.89
Rot. Bonds3

About 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one

1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one (PubChem CID 102583572) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
PubChem CID102583572
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
SMILESO=C1CC(c2ccccc2)c2cc(F)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H18FNO/c23-18-11-12-21-20(13-18)19(17-9-5-2-6-10-17)14-22(25)24(21)15-16-7-3-1-4-8-16/h1-13,19H,14-15H2
InChIKeyQXEABOBAECFFLL-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-5-fluoro-1',4'-diphenylspiro[indole-3,5'-pyrrolidine]-2,2'-dione
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3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
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benzyl 4-(4-fluorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854562
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one (CID 102583572) is 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one is O=C1CC(c2ccccc2)c2cc(F)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one?
The InChIKey is QXEABOBAECFFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c23-18-11-12-21-20(13-18)19(17-9-5-2-6-10-17)14-22(25)24(21)15-16-7-3-1-4-8-16/h1-13,19H,14-15H2.
What are the key properties of 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one?
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one has a molecular weight of 331.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 102583572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).