3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione

C12H13N3O2 — CID 117262472

IUPAC3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2[nH]c(=O)n(C3CNC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O2/c1-7-2-3-10-9(4-7)11(16)15(12(17)14-10)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,17)
InChIKeyZZDLPTORIXWCNO-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.14
Rot. Bonds1

About 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione

3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione (PubChem CID 117262472) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
PubChem CID117262472
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2[nH]c(=O)n(C3CNC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O2/c1-7-2-3-10-9(4-7)11(16)15(12(17)14-10)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,17)
InChIKeyZZDLPTORIXWCNO-UHFFFAOYSA-N
XLogP0.14
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262442
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
2,7-dimethyl-10H-acridin-9-one
CID 13293445

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione (CID 117262472) is 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione is Cc1ccc2[nH]c(=O)n(C3CNC3)c(=O)c2c1.
What is the InChIKey of 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione?
The InChIKey is ZZDLPTORIXWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-2-3-10-9(4-7)11(16)15(12(17)14-10)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,17).
What are the key properties of 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione?
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).