6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione

C13H16N2O4 — CID 94075074

IUPAC6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C13H16N2O4/c1-4-5-15-12(16)8-6-10(18-2)11(19-3)7-9(8)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,17)
InChIKeyVGVUSTVIRDCATI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.12
Rot. Bonds4

About 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione

6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione (PubChem CID 94075074) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
PubChem CID94075074
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C13H16N2O4/c1-4-5-15-12(16)8-6-10(18-2)11(19-3)7-9(8)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,17)
InChIKeyVGVUSTVIRDCATI-UHFFFAOYSA-N
XLogP1.12
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione 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-3-propyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione (CID 94075074) is 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione is CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione?
The InChIKey is VGVUSTVIRDCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-5-15-12(16)8-6-10(18-2)11(19-3)7-9(8)14-13(15)17/h6-7H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione?
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 94075074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).