3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one

C12H12BrN3O — CID 117263956

IUPAC3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-9-1-2-11-10(3-9)12(17)16(7-15-11)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyHKKRLXCZJKKGSV-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.38
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one

3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one (PubChem CID 117263956) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
PubChem CID117263956
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CC1CNC1
InChIInChI=1S/C12H12BrN3O/c13-9-1-2-11-10(3-9)12(17)16(7-15-11)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyHKKRLXCZJKKGSV-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-(trifluoromethyl)quinazolin-4-one
CID 117263950
6-bromo-3-[(2,2-dichlorocyclopropyl)methyl]quinazolin-4-one
CID 16619810
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
CID 117264649
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
tert-butyl 4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 164529534
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one (CID 117263956) is 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one is O=c1c2cc(Br)ccc2ncn1CC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one?
The InChIKey is HKKRLXCZJKKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-1-2-11-10(3-9)12(17)16(7-15-11)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2.
What are the key properties of 3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one?
3-(azetidin-3-ylmethyl)-6-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)-6-bromoquinazolin-4-one is sourced from PubChem (CID 117263956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).