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

C20H25N5O — CID 16584618

IUPAC2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C20H25N5O/c1-21-19-18-16(8-5-9-17(18)26)22-20(23-19)25-12-10-24(11-13-25)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,21,22,23)
InChIKeyHIJXACSQKBQRNZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.36
Rot. Bonds4

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

2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584618) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584618
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C20H25N5O/c1-21-19-18-16(8-5-9-17(18)26)22-20(23-19)25-12-10-24(11-13-25)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,21,22,23)
InChIKeyHIJXACSQKBQRNZ-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
4-(4-methoxyanilino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30316343
4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 16584663
2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16653001
4-(4-methylanilino)-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30315874
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
(7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(furan-2-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 28990578
4-(4-chloroanilino)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 30316133
7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one
CID 16584647
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 17036467
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 16584618) is 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HIJXACSQKBQRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-21-19-18-16(8-5-9-17(18)26)22-20(23-19)25-12-10-24(11-13-25)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 351.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).