3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one

C23H15F2NO2 — CID 2134971

IUPAC3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-10-8-16(9-11-17)22(27)20-14-26(13-15-4-3-5-18(25)12-15)21-7-2-1-6-19(21)23(20)28/h1-12,14H,13H2
InChIKeyLDHMJUOBNRTTJO-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.56
Rot. Bonds4

About 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one

3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one (PubChem CID 2134971) has the molecular formula C23H15F2NO2 and a molecular weight of 375.37 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one
PubChem CID2134971
Molecular FormulaC23H15F2NO2
Molecular Weight375.37 g/mol
Exact Mass375.11
IUPAC Name3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-10-8-16(9-11-17)22(27)20-14-26(13-15-4-3-5-18(25)12-15)21-7-2-1-6-19(21)23(20)28/h1-12,14H,13H2
InChIKeyLDHMJUOBNRTTJO-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-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one (CID 2134971) is 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one is O=C(c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O.
What is the InChIKey of 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The InChIKey is LDHMJUOBNRTTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO2/c24-17-10-8-16(9-11-17)22(27)20-14-26(13-15-4-3-5-18(25)12-15)21-7-2-1-6-19(21)23(20)28/h1-12,14H,13H2.
What are the key properties of 3-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one?
3-(4-fluorobenzoyl)-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-(4-fluorobenzoyl)-1-[(3-fluorophenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).