3-(azetidin-3-yl)-6-methylquinazolin-4-one

C12H13N3O — CID 117263880

IUPAC3-(azetidin-3-yl)-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(C3CNC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O/c1-8-2-3-11-10(4-8)12(16)15(7-14-11)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3
InChIKeyLQDOPFSOMASWHU-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.85
Rot. Bonds1

About 3-(azetidin-3-yl)-6-methylquinazolin-4-one

3-(azetidin-3-yl)-6-methylquinazolin-4-one (PubChem CID 117263880) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)-6-methylquinazolin-4-one
PubChem CID117263880
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(azetidin-3-yl)-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(C3CNC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O/c1-8-2-3-11-10(4-8)12(16)15(7-14-11)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3
InChIKeyLQDOPFSOMASWHU-UHFFFAOYSA-N
XLogP0.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-6-methylquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-yl)-6-methylquinazolin-4-one (CID 117263880) is 3-(azetidin-3-yl)-6-methylquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-yl)-6-methylquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-yl)-6-methylquinazolin-4-one is Cc1ccc2ncn(C3CNC3)c(=O)c2c1.
What is the InChIKey of 3-(azetidin-3-yl)-6-methylquinazolin-4-one?
The InChIKey is LQDOPFSOMASWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-2-3-11-10(4-8)12(16)15(7-14-11)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-6-methylquinazolin-4-one?
3-(azetidin-3-yl)-6-methylquinazolin-4-one has a molecular weight of 215.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-6-methylquinazolin-4-one is sourced from PubChem (CID 117263880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).