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

C16H14N2O4 — CID 117261702

IUPAC7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-15(19)13-8-7-12(22-2)9-14(13)17-16(18)20/h3-9H,1-2H3,(H,17,20)
InChIKeyHKDAYZBMHYHWSL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.70
Rot. Bonds3

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

7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261702) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
PubChem CID117261702
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-15(19)13-8-7-12(22-2)9-14(13)17-16(18)20/h3-9H,1-2H3,(H,17,20)
InChIKeyHKDAYZBMHYHWSL-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
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061213
6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 117261312
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
3-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 2731104
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17445259
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione (CID 117261702) is 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is COc1ccc(-n2c(=O)[nH]c3cc(OC)ccc3c2=O)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is HKDAYZBMHYHWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-15(19)13-8-7-12(22-2)9-14(13)17-16(18)20/h3-9H,1-2H3,(H,17,20).
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione?
7-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 7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).