6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

C16H22N4O4 — CID 135520281

IUPAC6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(N3CCN(C)CC3)nc2c(OC)c1OC
InChIInChI=1S/C16H22N4O4/c1-19-5-7-20(8-6-19)16-17-12-10(15(21)18-16)9-11(22-2)13(23-3)14(12)24-4/h9H,5-8H2,1-4H3,(H,17,18,21)
InChIKeyXLKPRBPYMLAXPX-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.70
Rot. Bonds4

About 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (PubChem CID 135520281) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
PubChem CID135520281
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(N3CCN(C)CC3)nc2c(OC)c1OC
InChIInChI=1S/C16H22N4O4/c1-19-5-7-20(8-6-19)16-17-12-10(15(21)18-16)9-11(22-2)13(23-3)14(12)24-4/h9H,5-8H2,1-4H3,(H,17,18,21)
InChIKeyXLKPRBPYMLAXPX-UHFFFAOYSA-N
XLogP0.70
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (CID 135520281) is 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is COc1cc2c(=O)[nH]c(N3CCN(C)CC3)nc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The InChIKey is XLKPRBPYMLAXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-5-7-20(8-6-19)16-17-12-10(15(21)18-16)9-11(22-2)13(23-3)14(12)24-4/h9H,5-8H2,1-4H3,(H,17,18,21).
What are the key properties of 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one has a molecular weight of 334.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135520281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).