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

C16H14N2O4 — CID 117261150

IUPAC5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cccc(OC)c3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-8-6-10(7-9-11)18-15(19)14-12(17-16(18)20)4-3-5-13(14)22-2/h3-9H,1-2H3,(H,17,20)
InChIKeyFZNRJRKFDSLQAN-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.70
Rot. Bonds3

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

5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261150) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
PubChem CID117261150
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cccc(OC)c3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-8-6-10(7-9-11)18-15(19)14-12(17-16(18)20)4-3-5-13(14)22-2/h3-9H,1-2H3,(H,17,20)
InChIKeyFZNRJRKFDSLQAN-UHFFFAOYSA-N
XLogP1.70
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261010
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261137
4-methoxy-3-(4-methoxyphenyl)-2-methyl-1H-indole
CID 13415856
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565458

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (CID 117261150) is 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is COc1ccc(-n2c(=O)[nH]c3cccc(OC)c3c2=O)cc1.
What is the InChIKey of 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is FZNRJRKFDSLQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-11-8-6-10(7-9-11)18-15(19)14-12(17-16(18)20)4-3-5-13(14)22-2/h3-9H,1-2H3,(H,17,20).
What are the key properties of 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).