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

C20H24N4O — CID 666510

IUPAC2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C20H24N4O/c1-15-19-17(8-5-9-18(19)25)22-20(21-15)24-12-10-23(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyMKYSVZYVSCYGPR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.63
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 666510) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID666510
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C20H24N4O/c1-15-19-17(8-5-9-18(19)25)22-20(21-15)24-12-10-23(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyMKYSVZYVSCYGPR-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 666510) is 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MKYSVZYVSCYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-19-17(8-5-9-18(19)25)22-20(21-15)24-12-10-23(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 336.44 g/mol, XLogP of 2.63, 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)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 666510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).