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

C26H28N4O2 — CID 665593

IUPAC2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1
InChIInChI=1S/C26H28N4O2/c1-32-22-9-7-20(8-10-22)21-15-24-23(25(31)16-21)17-27-26(28-24)30-13-11-29(12-14-30)18-19-5-3-2-4-6-19/h2-10,17,21H,11-16,18H2,1H3
InChIKeyINKFNGXPLFWEDG-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.72
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665593) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665593
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1
InChIInChI=1S/C26H28N4O2/c1-32-22-9-7-20(8-10-22)21-15-24-23(25(31)16-21)17-27-26(28-24)30-13-11-29(12-14-30)18-19-5-3-2-4-6-19/h2-10,17,21H,11-16,18H2,1H3
InChIKeyINKFNGXPLFWEDG-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 665593) is 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is INKFNGXPLFWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-32-22-9-7-20(8-10-22)21-15-24-23(25(31)16-21)17-27-26(28-24)30-13-11-29(12-14-30)18-19-5-3-2-4-6-19/h2-10,17,21H,11-16,18H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 428.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).