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

C25H26N4O — CID 667234

IUPAC4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C25H26N4O/c1-18-24-22(16-20(17-23(24)30)19-8-4-2-5-9-19)27-25(26-18)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,20H,12-17H2,1H3
InChIKeyYTYLHKIQCYKTDV-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.02
Rot. Bonds3

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

4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 667234) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID667234
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C25H26N4O/c1-18-24-22(16-20(17-23(24)30)19-8-4-2-5-9-19)27-25(26-18)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,20H,12-17H2,1H3
InChIKeyYTYLHKIQCYKTDV-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 667234) is 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YTYLHKIQCYKTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-24-22(16-20(17-23(24)30)19-8-4-2-5-9-19)27-25(26-18)29-14-12-28(13-15-29)21-10-6-3-7-11-21/h2-11,20H,12-17H2,1H3.
What are the key properties of 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 398.51 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 667234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).