3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one

C12H12FN3O — CID 117263580

IUPAC3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
SMILESO=c1c2c(F)cccc2ncn1CC1CNC1
InChIInChI=1S/C12H12FN3O/c13-9-2-1-3-10-11(9)12(17)16(7-15-10)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyFHVKMVGYULRPLF-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.75
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one

3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one (PubChem CID 117263580) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
PubChem CID117263580
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
SMILESO=c1c2c(F)cccc2ncn1CC1CNC1
InChIInChI=1S/C12H12FN3O/c13-9-2-1-3-10-11(9)12(17)16(7-15-10)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2
InChIKeyFHVKMVGYULRPLF-UHFFFAOYSA-N
XLogP0.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one (CID 117263580) is 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one is O=c1c2c(F)cccc2ncn1CC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one?
The InChIKey is FHVKMVGYULRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-2-1-3-10-11(9)12(17)16(7-15-10)6-8-4-14-5-8/h1-3,7-8,14H,4-6H2.
What are the key properties of 3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one?
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one has a molecular weight of 233.25 g/mol, XLogP of 0.75, 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)-5-fluoroquinazolin-4-one is sourced from PubChem (CID 117263580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).