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

C17H13FN2O2 — CID 155728191

IUPAC6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C17H13FN2O2/c1-2-15(21)13-7-11(10-3-5-12(18)6-4-10)8-14-16(13)19-9-20-17(14)22/h3-9H,2H2,1H3,(H,19,20,22)
InChIKeyKLOXFPYSHABMOY-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.32
Rot. Bonds3

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

6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one (PubChem CID 155728191) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one
PubChem CID155728191
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C17H13FN2O2/c1-2-15(21)13-7-11(10-3-5-12(18)6-4-10)8-14-16(13)19-9-20-17(14)22/h3-9H,2H2,1H3,(H,19,20,22)
InChIKeyKLOXFPYSHABMOY-UHFFFAOYSA-N
XLogP3.32
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one (CID 155728191) is 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one is CCC(=O)c1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one?
The InChIKey is KLOXFPYSHABMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-2-15(21)13-7-11(10-3-5-12(18)6-4-10)8-14-16(13)19-9-20-17(14)22/h3-9H,2H2,1H3,(H,19,20,22).
What are the key properties of 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one?
6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one has a molecular weight of 296.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one is sourced from PubChem (CID 155728191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).