7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C24H23FN4O — CID 665531

IUPAC7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H23FN4O/c25-19-8-6-17(7-9-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-12-10-28(11-13-29)20-4-2-1-3-5-20/h1-9,16,18H,10-15H2
InChIKeyWCBLKPCEPNLHOX-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.86
Rot. Bonds3

About 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665531) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665531
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
InChIInChI=1S/C24H23FN4O/c25-19-8-6-17(7-9-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-12-10-28(11-13-29)20-4-2-1-3-5-20/h1-9,16,18H,10-15H2
InChIKeyWCBLKPCEPNLHOX-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665531) is 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21.
What is the InChIKey of 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WCBLKPCEPNLHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-19-8-6-17(7-9-19)18-14-22-21(23(30)15-18)16-26-24(27-22)29-12-10-28(11-13-29)20-4-2-1-3-5-20/h1-9,16,18H,10-15H2.
What are the key properties of 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 402.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).