3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

C23H15F2NO2 — CID 2134612

IUPAC3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2ccc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-8-4-5-15(11-17)13-26-14-20(22(27)16-6-2-1-3-7-16)23(28)19-12-18(25)9-10-21(19)26/h1-12,14H,13H2
InChIKeyHCDITTBFAXTQPN-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.56
Rot. Bonds4

About 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (PubChem CID 2134612) has the molecular formula C23H15F2NO2 and a molecular weight of 375.37 g/mol. Its IUPAC name is 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
PubChem CID2134612
Molecular FormulaC23H15F2NO2
Molecular Weight375.37 g/mol
Exact Mass375.11
IUPAC Name3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2ccc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-8-4-5-15(11-17)13-26-14-20(22(27)16-6-2-1-3-7-16)23(28)19-12-18(25)9-10-21(19)26/h1-12,14H,13H2
InChIKeyHCDITTBFAXTQPN-UHFFFAOYSA-N
XLogP4.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The IUPAC name of 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (CID 2134612) is 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2ccc(F)cc2c1=O.
What is the InChIKey of 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The InChIKey is HCDITTBFAXTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO2/c24-17-8-4-5-15(11-17)13-26-14-20(22(27)16-6-2-1-3-7-16)23(28)19-12-18(25)9-10-21(19)26/h1-12,14H,13H2.
What are the key properties of 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one has a molecular weight of 375.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-fluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2134612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).