3-(azetidin-3-yl)-8-methylquinazolin-4-one

C12H13N3O — CID 117264577

IUPAC3-(azetidin-3-yl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C3CNC3)cnc12
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-10-11(8)14-7-15(12(10)16)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3
InChIKeyAFBDUDQFEOBMOK-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.85
Rot. Bonds1

About 3-(azetidin-3-yl)-8-methylquinazolin-4-one

3-(azetidin-3-yl)-8-methylquinazolin-4-one (PubChem CID 117264577) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)-8-methylquinazolin-4-one
PubChem CID117264577
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(azetidin-3-yl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C3CNC3)cnc12
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-10-11(8)14-7-15(12(10)16)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3
InChIKeyAFBDUDQFEOBMOK-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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Related Compounds

3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methylquinazolin-4-one
CID 53113917
N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828300
3-(azetidin-3-yl)-6-methylquinazolin-4-one
CID 117263880
8-bromo-3-piperidin-3-ylquinazolin-4-one
CID 117264605
3-(4-iodophenyl)-8-methylquinazolin-4-one
CID 155538395
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
8-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 155535290
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
5-(4-methylbenzimidazol-1-yl)piperidin-2-one
CID 174265023
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 154878953
8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one
CID 39830585

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-8-methylquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-yl)-8-methylquinazolin-4-one (CID 117264577) is 3-(azetidin-3-yl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-yl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-yl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(C3CNC3)cnc12.
What is the InChIKey of 3-(azetidin-3-yl)-8-methylquinazolin-4-one?
The InChIKey is AFBDUDQFEOBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-2-4-10-11(8)14-7-15(12(10)16)9-5-13-6-9/h2-4,7,9,13H,5-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-8-methylquinazolin-4-one?
3-(azetidin-3-yl)-8-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)-8-methylquinazolin-4-one is sourced from PubChem (CID 117264577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).