6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one

C15H11FN2O — CID 155354014

IUPAC6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C15H11FN2O/c1-9-6-11(10-2-4-12(16)5-3-10)7-13-14(9)17-8-18-15(13)19/h2-8H,1H3,(H,17,18,19)
InChIKeyKJCJQDVHEGNAIV-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.04
Rot. Bonds1

About 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one

6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one (PubChem CID 155354014) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
PubChem CID155354014
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C15H11FN2O/c1-9-6-11(10-2-4-12(16)5-3-10)7-13-14(9)17-8-18-15(13)19/h2-8H,1H3,(H,17,18,19)
InChIKeyKJCJQDVHEGNAIV-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one (CID 155354014) is 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one is Cc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one?
The InChIKey is KJCJQDVHEGNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-9-6-11(10-2-4-12(16)5-3-10)7-13-14(9)17-8-18-15(13)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one?
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one has a molecular weight of 254.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 155354014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).