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

C19H22N4O — CID 666551

IUPAC2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21
InChIInChI=1S/C19H22N4O/c24-18-8-4-7-17-16(18)13-20-19(21-17)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2
InChIKeyFQDOFDZMBRWBRP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.32
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 666551) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID666551
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21
InChIInChI=1S/C19H22N4O/c24-18-8-4-7-17-16(18)13-20-19(21-17)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2
InChIKeyFQDOFDZMBRWBRP-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531
7-(3-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 665827

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 666551) is 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FQDOFDZMBRWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-8-4-7-17-16(18)13-20-19(21-17)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 322.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 666551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).