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

C26H28N4O2 — CID 665990

IUPAC7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-25-23(16-20(17-24(25)31)19-8-10-22(32-2)11-9-19)28-26(27-18)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3
InChIKeyCZFKPWXCBHDEBY-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.03
Rot. Bonds4

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

7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665990) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665990
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-25-23(16-20(17-24(25)31)19-8-10-22(32-2)11-9-19)28-26(27-18)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3
InChIKeyCZFKPWXCBHDEBY-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665990) is 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CZFKPWXCBHDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-25-23(16-20(17-24(25)31)19-8-10-22(32-2)11-9-19)28-26(27-18)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 428.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).