3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one

C12H12BrN3O — CID 117264649

IUPAC3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
SMILESO=c1c2cccc(Br)c2ncn1CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-2-9-11(10)15-7-16(12(9)17)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyHBWXSNJCQDJXEY-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.38
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one

3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one (PubChem CID 117264649) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
PubChem CID117264649
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
SMILESO=c1c2cccc(Br)c2ncn1CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-2-9-11(10)15-7-16(12(9)17)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyHBWXSNJCQDJXEY-UHFFFAOYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
CID 117263956
8-bromo-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 90003883
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580
8-bromo-3-piperidin-3-ylquinazolin-4-one
CID 117264605
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263950
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
3-(azetidin-3-yl)-8-methylquinazolin-4-one
CID 117264577
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371
3-(azetidin-3-ylmethyl)-6-tert-butylpyrimidin-4-one
CID 126857712

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one (CID 117264649) is 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one is O=c1c2cccc(Br)c2ncn1CC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one?
The InChIKey is HBWXSNJCQDJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-3-1-2-9-11(10)15-7-16(12(9)17)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2.
What are the key properties of 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one?
3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one has a molecular weight of 294.15 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one is sourced from PubChem (CID 117264649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).