3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione

C16H14N2O3 — CID 117261977

IUPAC3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-10-4-3-5-13-14(10)17-16(20)18(15(13)19)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3,(H,17,20)
InChIKeyLBYLDVMGVIWZMX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.00
Rot. Bonds2

About 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione

3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione (PubChem CID 117261977) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
PubChem CID117261977
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C16H14N2O3/c1-10-4-3-5-13-14(10)17-16(20)18(15(13)19)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3,(H,17,20)
InChIKeyLBYLDVMGVIWZMX-UHFFFAOYSA-N
XLogP2.00
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261833
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 139230707
8-bromo-3-phenyl-1H-quinazoline-2,4-dione
CID 117261927
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione (CID 117261977) is 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione is COc1ccc(-n2c(=O)[nH]c3c(C)cccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione?
The InChIKey is LBYLDVMGVIWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-4-3-5-13-14(10)17-16(20)18(15(13)19)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3,(H,17,20).
What are the key properties of 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione?
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).