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

C21H26N4O — CID 666977

IUPAC2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C21H26N4O/c1-15-12-18-20(19(26)13-15)16(2)22-21(23-18)25-10-8-24(9-11-25)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
InChIKeyHQMIWLXGUWTSCH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.87
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 666977) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID666977
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C21H26N4O/c1-15-12-18-20(19(26)13-15)16(2)22-21(23-18)25-10-8-24(9-11-25)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
InChIKeyHQMIWLXGUWTSCH-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.87
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)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 666977) is 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HQMIWLXGUWTSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-12-18-20(19(26)13-15)16(2)22-21(23-18)25-10-8-24(9-11-25)14-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 350.47 g/mol, XLogP of 2.87, 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)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 666977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).