2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C24H23FN4O2 — CID 6485747

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2O)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21
InChIInChI=1S/C24H23FN4O2/c25-19-6-2-3-7-21(19)28-9-11-29(12-10-28)24-26-15-18-20(27-24)13-16(14-23(18)31)17-5-1-4-8-22(17)30/h1-8,15-16,30H,9-14H2
InChIKeyBOIUDGZAHMXFSC-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.56
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 6485747) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID6485747
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2O)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21
InChIInChI=1S/C24H23FN4O2/c25-19-6-2-3-7-21(19)28-9-11-29(12-10-28)24-26-15-18-20(27-24)13-16(14-23(18)31)17-5-1-4-8-22(17)30/h1-8,15-16,30H,9-14H2
InChIKeyBOIUDGZAHMXFSC-UHFFFAOYSA-N
XLogP3.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 665531
CID 665531
CID 665593
CID 665593
CID 6471170
CID 6471170
CID 6471435
CID 6471435
CID 16448617
CID 16448617
CID 4873907
CID 4873907
CID 16652861
CID 16652861
CID 16652862
CID 16652862
CID 16652863
CID 16652863
CID 59421171
CID 59421171
CID 69451803
CID 69451803
CID 69834712
CID 69834712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 6485747) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccccc2O)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BOIUDGZAHMXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-19-6-2-3-7-21(19)28-9-11-29(12-10-28)24-26-15-18-20(27-24)13-16(14-23(18)31)17-5-1-4-8-22(17)30/h1-8,15-16,30H,9-14H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 418.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 6485747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).