8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione

C13H16N2O3 — CID 117261904

IUPAC8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(CC(C)C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O3/c1-8(2)7-15-12(16)9-5-4-6-10(18-3)11(9)14-13(15)17/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyZPVINTARVWQCSW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.35
Rot. Bonds3

About 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione

8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione (PubChem CID 117261904) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
PubChem CID117261904
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(CC(C)C)c(=O)[nH]c12
InChIInChI=1S/C13H16N2O3/c1-8(2)7-15-12(16)9-5-4-6-10(18-3)11(9)14-13(15)17/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyZPVINTARVWQCSW-UHFFFAOYSA-N
XLogP1.35
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263372
8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261970
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
7-bromo-3-(2-methylpropyl)-1H-benzimidazol-2-one
CID 102136451
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione (CID 117261904) is 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione is COc1cccc2c(=O)n(CC(C)C)c(=O)[nH]c12.
What is the InChIKey of 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione?
The InChIKey is ZPVINTARVWQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)7-15-12(16)9-5-4-6-10(18-3)11(9)14-13(15)17/h4-6,8H,7H2,1-3H3,(H,14,17).
What are the key properties of 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione?
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).