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

C15H16F3N3O — CID 117263974

IUPAC3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2cc(C(F)(F)F)ccc2ncn1CC1CCCNC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)11-3-4-13-12(6-11)14(22)21(9-20-13)8-10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2
InChIKeyJWWYZJRZKCGHJM-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.41
Rot. Bonds2

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

3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one (PubChem CID 117263974) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
PubChem CID117263974
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2cc(C(F)(F)F)ccc2ncn1CC1CCCNC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)11-3-4-13-12(6-11)14(22)21(9-20-13)8-10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2
InChIKeyJWWYZJRZKCGHJM-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azetidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263950
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-(trifluoromethyl)quinazolin-4-one;dihydrobromide
CID 67873969
3-(azetidin-3-ylmethyl)-6-bromoquinazolin-4-one
CID 117263956
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119930211

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one (CID 117263974) is 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one is O=c1c2cc(C(F)(F)F)ccc2ncn1CC1CCCNC1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
The InChIKey is JWWYZJRZKCGHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)11-3-4-13-12(6-11)14(22)21(9-20-13)8-10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one?
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one has a molecular weight of 311.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 117263974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).