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

C24H21F3N4O — CID 16652862

IUPAC7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(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
InChIKeyYTXOZCNCERMWIA-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.13
Rot. Bonds3

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

7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652862) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652862
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(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
InChIKeyYTXOZCNCERMWIA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 16652862) is 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21.
What is the InChIKey of 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YTXOZCNCERMWIA-UHFFFAOYSA-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.
What are the key properties of 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
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 7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).