(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

C24H21F3N4O — CID 28629708

IUPAC(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21
InChIInChI=1S/C24H21F3N4O/c25-17-1-3-20(4-2-17)30-5-7-31(8-6-30)24-28-14-21-22(29-24)11-16(12-23(21)32)15-9-18(26)13-19(27)10-15/h1-4,9-10,13-14,16H,5-8,11-12H2/t16-/m0/s1
InChIKeyYTXOZCNCERMWIA-INIZCTEOSA-N
MW438.45 g/mol
LogP4.13
Rot. Bonds3

About (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 28629708) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID28629708
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21
InChIInChI=1S/C24H21F3N4O/c25-17-1-3-20(4-2-17)30-5-7-31(8-6-30)24-28-14-21-22(29-24)11-16(12-23(21)32)15-9-18(26)13-19(27)10-15/h1-4,9-10,13-14,16H,5-8,11-12H2/t16-/m0/s1
InChIKeyYTXOZCNCERMWIA-INIZCTEOSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-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

(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629706
(7S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386657
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629651
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386820
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970
(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41026673
(7S)-7-(3,5-difluorophenyl)-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 29044438
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 28629708) is (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21.
What is the InChIKey of (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YTXOZCNCERMWIA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-17-1-3-20(4-2-17)30-5-7-31(8-6-30)24-28-14-21-22(29-24)11-16(12-23(21)32)15-9-18(26)13-19(27)10-15/h1-4,9-10,13-14,16H,5-8,11-12H2/t16-/m0/s1.
What are the key properties of (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 438.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 28629708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).