1-(azetidin-3-ylmethyl)quinazoline-2,4-dione

C12H13N3O2 — CID 112750562

IUPAC1-(azetidin-3-ylmethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CNC2)c2ccccc12
InChIInChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(17)14-11)7-8-5-13-6-8/h1-4,8,13H,5-7H2,(H,14,16,17)
InChIKeyHPORIWKBJJIPFY-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.09
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione

1-(azetidin-3-ylmethyl)quinazoline-2,4-dione (PubChem CID 112750562) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)quinazoline-2,4-dione
PubChem CID112750562
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(azetidin-3-ylmethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CNC2)c2ccccc12
InChIInChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(17)14-11)7-8-5-13-6-8/h1-4,8,13H,5-7H2,(H,14,16,17)
InChIKeyHPORIWKBJJIPFY-UHFFFAOYSA-N
XLogP-0.09
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione (CID 112750562) is 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(CC2CNC2)c2ccccc12.
What is the InChIKey of 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione?
The InChIKey is HPORIWKBJJIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(17)14-11)7-8-5-13-6-8/h1-4,8,13H,5-7H2,(H,14,16,17).
What are the key properties of 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione?
1-(azetidin-3-ylmethyl)quinazoline-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 112750562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).