6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one

C19H22N6O3 — CID 135759173

IUPAC6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCN(c4ncccn4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C19H22N6O3/c1-27-15-10-13-14(11-16(15)28-2)22-17(23-18(13)26)12-24-6-8-25(9-7-24)19-20-4-3-5-21-19/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,23,26)
InChIKeyZAMZXKPSRWICNN-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.05
Rot. Bonds5

About 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135759173) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135759173
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCN(c4ncccn4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C19H22N6O3/c1-27-15-10-13-14(11-16(15)28-2)22-17(23-18(13)26)12-24-6-8-25(9-7-24)19-20-4-3-5-21-19/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,23,26)
InChIKeyZAMZXKPSRWICNN-UHFFFAOYSA-N
XLogP1.05
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-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-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (CID 135759173) is 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is COc1cc2nc(CN3CCN(c4ncccn4)CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is ZAMZXKPSRWICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-27-15-10-13-14(11-16(15)28-2)22-17(23-18(13)26)12-24-6-8-25(9-7-24)19-20-4-3-5-21-19/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,23,26).
What are the key properties of 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 382.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135759173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).