5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione

C17H16N2O5 — CID 11580706

IUPAC5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(OC)cc(OC)c3c2=O)cc1
InChIInChI=1S/C17H16N2O5/c1-22-11-6-4-10(5-7-11)19-16(20)15-13(18-17(19)21)8-12(23-2)9-14(15)24-3/h4-9H,1-3H3,(H,18,21)
InChIKeyATWNKDPBEUEDEN-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.70
Rot. Bonds4

About 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione

5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (PubChem CID 11580706) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
PubChem CID11580706
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(OC)cc(OC)c3c2=O)cc1
InChIInChI=1S/C17H16N2O5/c1-22-11-6-4-10(5-7-11)19-16(20)15-13(18-17(19)21)8-12(23-2)9-14(15)24-3/h4-9H,1-3H3,(H,18,21)
InChIKeyATWNKDPBEUEDEN-UHFFFAOYSA-N
XLogP1.70
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethoxy-3-(4-methoxyphenyl)-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 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (CID 11580706) is 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is COc1ccc(-n2c(=O)[nH]c3cc(OC)cc(OC)c3c2=O)cc1.
What is the InChIKey of 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is ATWNKDPBEUEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-11-6-4-10(5-7-11)19-16(20)15-13(18-17(19)21)8-12(23-2)9-14(15)24-3/h4-9H,1-3H3,(H,18,21).
What are the key properties of 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 328.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 11580706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).