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

C17H20N4O3 — CID 137031235

IUPAC6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(Cn3ccnc3C(C)C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H20N4O3/c1-10(2)16-18-5-6-21(16)9-15-19-12-8-14(24-4)13(23-3)7-11(12)17(22)20-15/h5-8,10H,9H2,1-4H3,(H,19,20,22)
InChIKeyGDCVOLLONKFPQB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds5

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

6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 137031235) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID137031235
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(Cn3ccnc3C(C)C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H20N4O3/c1-10(2)16-18-5-6-21(16)9-15-19-12-8-14(24-4)13(23-3)7-11(12)17(22)20-15/h5-8,10H,9H2,1-4H3,(H,19,20,22)
InChIKeyGDCVOLLONKFPQB-UHFFFAOYSA-N
XLogP2.31
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-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-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one (CID 137031235) is 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one is COc1cc2nc(Cn3ccnc3C(C)C)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is GDCVOLLONKFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(2)16-18-5-6-21(16)9-15-19-12-8-14(24-4)13(23-3)7-11(12)17(22)20-15/h5-8,10H,9H2,1-4H3,(H,19,20,22).
What are the key properties of 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137031235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).