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

C24H21F3N4O — CID 16652863

IUPAC7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21
InChIInChI=1S/C24H21F3N4O/c25-17-9-15(10-18(26)13-17)16-11-21-19(23(32)12-16)14-28-24(29-21)31-7-5-30(6-8-31)22-4-2-1-3-20(22)27/h1-4,9-10,13-14,16H,5-8,11-12H2
InChIKeyIHEQEPOELUNFKZ-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.13
Rot. Bonds3

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

7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16652863) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16652863
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21
InChIInChI=1S/C24H21F3N4O/c25-17-9-15(10-18(26)13-17)16-11-21-19(23(32)12-16)14-28-24(29-21)31-7-5-30(6-8-31)22-4-2-1-3-20(22)27/h1-4,9-10,13-14,16H,5-8,11-12H2
InChIKeyIHEQEPOELUNFKZ-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-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 16652863) is 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccccc4F)CC3)ncc21.
What is the InChIKey of 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is IHEQEPOELUNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-17-9-15(10-18(26)13-17)16-11-21-19(23(32)12-16)14-28-24(29-21)31-7-5-30(6-8-31)22-4-2-1-3-20(22)27/h1-4,9-10,13-14,16H,5-8,11-12H2.
What are the key properties of 7-(3,5-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
7-(3,5-difluorophenyl)-2-[4-(2-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-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).