3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one

C15H10ClFN2O — CID 40743497

IUPAC3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(6-11)8-19-9-18-14-7-12(17)4-5-13(14)15(19)20/h1-7,9H,8H2
InChIKeyBISOFXSNSLJKNI-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.24
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one

3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one (PubChem CID 40743497) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
PubChem CID40743497
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(6-11)8-19-9-18-14-7-12(17)4-5-13(14)15(19)20/h1-7,9H,8H2
InChIKeyBISOFXSNSLJKNI-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 66637595
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one (CID 40743497) is 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2ncn1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one?
The InChIKey is BISOFXSNSLJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-11-3-1-2-10(6-11)8-19-9-18-14-7-12(17)4-5-13(14)15(19)20/h1-7,9H,8H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one?
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one has a molecular weight of 288.71 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 40743497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).