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

C25H26N4O — CID 666270

IUPAC2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc21
InChIInChI=1S/C25H26N4O/c30-23-13-7-12-22-21(23)18-26-25(27-22)29-16-14-28(15-17-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,18,24H,7,12-17H2
InChIKeyFDYPIFHXCRQMHK-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.91
Rot. Bonds4

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

2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 666270) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID666270
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc21
InChIInChI=1S/C25H26N4O/c30-23-13-7-12-22-21(23)18-26-25(27-22)29-16-14-28(15-17-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,18,24H,7,12-17H2
InChIKeyFDYPIFHXCRQMHK-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 666270) is 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc21.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FDYPIFHXCRQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-23-13-7-12-22-21(23)18-26-25(27-22)29-16-14-28(15-17-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,18,24H,7,12-17H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 398.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 666270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).