3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one

C13H15N3O2 — CID 117264303

IUPAC3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CNC3)cnc2c1
InChIInChI=1S/C13H15N3O2/c1-18-10-2-3-11-12(4-10)15-8-16(13(11)17)7-9-5-14-6-9/h2-4,8-9,14H,5-7H2,1H3
InChIKeyXJNISBOZVPVZIQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.62
Rot. Bonds3

About 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one

3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one (PubChem CID 117264303) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
PubChem CID117264303
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CNC3)cnc2c1
InChIInChI=1S/C13H15N3O2/c1-18-10-2-3-11-12(4-10)15-8-16(13(11)17)7-9-5-14-6-9/h2-4,8-9,14H,5-7H2,1H3
InChIKeyXJNISBOZVPVZIQ-UHFFFAOYSA-N
XLogP0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284
3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
CID 117263956
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 154581258
7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154582908
3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263950

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one (CID 117264303) is 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one is COc1ccc2c(=O)n(CC3CNC3)cnc2c1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one?
The InChIKey is XJNISBOZVPVZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-10-2-3-11-12(4-10)15-8-16(13(11)17)7-9-5-14-6-9/h2-4,8-9,14H,5-7H2,1H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one?
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one is sourced from PubChem (CID 117264303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).