2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C26H26N4O2 — CID 155753361

IUPAC2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)CC1
InChIInChI=1S/C26H26N4O2/c1-18-7-5-6-10-21(18)25(32)29-11-13-30(14-12-29)26-27-17-22-23(28-26)15-20(16-24(22)31)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3
InChIKeyUXGPPFOTNRWRTQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.66
Rot. Bonds3

About 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 155753361) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID155753361
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)CC1
InChIInChI=1S/C26H26N4O2/c1-18-7-5-6-10-21(18)25(32)29-11-13-30(14-12-29)26-27-17-22-23(28-26)15-20(16-24(22)31)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3
InChIKeyUXGPPFOTNRWRTQ-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 155753361) is 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1C(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)CC1.
What is the InChIKey of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UXGPPFOTNRWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-7-5-6-10-21(18)25(32)29-11-13-30(14-12-29)26-27-17-22-23(28-26)15-20(16-24(22)31)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3.
What are the key properties of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 426.52 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 155753361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).