3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one

C13H12F3N3O — CID 117263950

IUPAC3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2cc(C(F)(F)F)ccc2ncn1CC1CNC1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-1-2-11-10(3-9)12(20)19(7-18-11)6-8-4-17-5-8/h1-3,7-8,17H,4-6H2
InChIKeyUCXQMLWXWNRPPQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.63
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one

3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one (PubChem CID 117263950) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
PubChem CID117263950
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2cc(C(F)(F)F)ccc2ncn1CC1CNC1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-1-2-11-10(3-9)12(20)19(7-18-11)6-8-4-17-5-8/h1-3,7-8,17H,4-6H2
InChIKeyUCXQMLWXWNRPPQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
CID 117263956
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-(trifluoromethyl)quinazolin-4-one;dihydrobromide
CID 67873969
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915
3-(azetidin-3-ylmethyl)-8-bromoquinazolin-4-one
CID 117264649
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
CID 14233670
3-(azetidin-3-ylmethyl)-6-tert-butylpyrimidin-4-one
CID 126857712
N-(azetidin-3-yl)-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562716
3-ethyl-6-methylquinazolin-4-one
CID 70641598

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one (CID 117263950) is 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one is O=c1c2cc(C(F)(F)F)ccc2ncn1CC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The InChIKey is UCXQMLWXWNRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-1-2-11-10(3-9)12(20)19(7-18-11)6-8-4-17-5-8/h1-3,7-8,17H,4-6H2.
What are the key properties of 3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one has a molecular weight of 283.25 g/mol, XLogP of 1.63, 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-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 117263950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).