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

C24H18FNO2 — CID 2135235

IUPAC3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1
InChIInChI=1S/C24H18FNO2/c1-16-6-5-7-17(12-16)14-26-15-21(23(27)18-8-3-2-4-9-18)24(28)20-13-19(25)10-11-22(20)26/h2-13,15H,14H2,1H3
InChIKeyXNTKTAPDRZUELT-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.73
Rot. Bonds4

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

3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one (PubChem CID 2135235) has the molecular formula C24H18FNO2 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one
PubChem CID2135235
Molecular FormulaC24H18FNO2
Molecular Weight371.41 g/mol
Exact Mass371.13
IUPAC Name3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1
InChIInChI=1S/C24H18FNO2/c1-16-6-5-7-17(12-16)14-26-15-21(23(27)18-8-3-2-4-9-18)24(28)20-13-19(25)10-11-22(20)26/h2-13,15H,14H2,1H3
InChIKeyXNTKTAPDRZUELT-UHFFFAOYSA-N
XLogP4.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.73
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-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one (CID 2135235) is 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one is Cc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1.
What is the InChIKey of 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one?
The InChIKey is XNTKTAPDRZUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO2/c1-16-6-5-7-17(12-16)14-26-15-21(23(27)18-8-3-2-4-9-18)24(28)20-13-19(25)10-11-22(20)26/h2-13,15H,14H2,1H3.
What are the key properties of 3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one?
3-benzoyl-6-fluoro-1-[(3-methylphenyl)methyl]quinolin-4-one has a molecular weight of 371.41 g/mol, XLogP of 4.73, 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-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 2135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).