3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one

C15H9F3N2O — CID 24524274

IUPAC3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(F)c1F
InChIInChI=1S/C15H9F3N2O/c16-10-4-5-11-13(6-10)19-8-20(15(11)21)7-9-2-1-3-12(17)14(9)18/h1-6,8H,7H2
InChIKeyGQICIQWAVJABPM-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.86
Rot. Bonds2

About 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one

3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one (PubChem CID 24524274) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
PubChem CID24524274
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(F)c1F
InChIInChI=1S/C15H9F3N2O/c16-10-4-5-11-13(6-10)19-8-20(15(11)21)7-9-2-1-3-12(17)14(9)18/h1-6,8H,7H2
InChIKeyGQICIQWAVJABPM-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one (CID 24524274) is 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2ncn1Cc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one?
The InChIKey is GQICIQWAVJABPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-10-4-5-11-13(6-10)19-8-20(15(11)21)7-9-2-1-3-12(17)14(9)18/h1-6,8H,7H2.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one?
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one has a molecular weight of 290.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 24524274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).