3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione

C17H16N2O3 — CID 22449593

IUPAC3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-8-15-14(9-11)16(20)19(17(21)18-15)10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyXEKWTWWVWWJETG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.06
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione

3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione (PubChem CID 22449593) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
PubChem CID22449593
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-11-3-8-15-14(9-11)16(20)19(17(21)18-15)10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyXEKWTWWVWWJETG-UHFFFAOYSA-N
XLogP2.06
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione (CID 22449593) is 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3ccc(C)cc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
The InChIKey is XEKWTWWVWWJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-3-8-15-14(9-11)16(20)19(17(21)18-15)10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione?
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22449593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).