8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one

C16H13FN2O — CID 164610678

IUPAC8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(-c2ccccc2F)c2ncn(C)c(=O)c2c1
InChIInChI=1S/C16H13FN2O/c1-10-7-12(11-5-3-4-6-14(11)17)15-13(8-10)16(20)19(2)9-18-15/h3-9H,1-2H3
InChIKeyGJEBDIUKCSPFFG-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.05
Rot. Bonds1

About 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one

8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one (PubChem CID 164610678) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one
PubChem CID164610678
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(-c2ccccc2F)c2ncn(C)c(=O)c2c1
InChIInChI=1S/C16H13FN2O/c1-10-7-12(11-5-3-4-6-14(11)17)15-13(8-10)16(20)19(2)9-18-15/h3-9H,1-2H3
InChIKeyGJEBDIUKCSPFFG-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
3-Methyl-4(3H)-quinazolinone
CID 17088
3-phenyl-3H-quinazolin-4-one
CID 785275
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
3-Ethyl-4-quinazolinone
CID 63385
3-(2-oxo-2-phenylethyl)-4(3H)-quinazolinone
CID 738365
3-(2-fluorophenyl)quinazolin-4(3H)-one
CID 613587
3-Methyl-2-o-tolyl-3H-quinazolin-4-one
CID 263099
3-(2-Methylphenyl)-4(3H)-quinazolinone
CID 64056

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one (CID 164610678) is 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one is Cc1cc(-c2ccccc2F)c2ncn(C)c(=O)c2c1.
What is the InChIKey of 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is GJEBDIUKCSPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-7-12(11-5-3-4-6-14(11)17)15-13(8-10)16(20)19(2)9-18-15/h3-9H,1-2H3.
What are the key properties of 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one?
8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 268.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 164610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).