(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C15H15F3N4O — CID 132971214

IUPAC(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCc3c2cccc3C(F)(F)F)nnn1C
InChIInChI=1S/C15H15F3N4O/c1-9-13(19-20-21(9)2)14(23)22-8-4-5-10-11(15(16,17)18)6-3-7-12(10)22/h3,6-7H,4-5,8H2,1-2H3
InChIKeyUOLAJBBNJINEQN-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.74
Rot. Bonds1

About (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 132971214) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID132971214
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCc3c2cccc3C(F)(F)F)nnn1C
InChIInChI=1S/C15H15F3N4O/c1-9-13(19-20-21(9)2)14(23)22-8-4-5-10-11(15(16,17)18)6-3-7-12(10)22/h3,6-7H,4-5,8H2,1-2H3
InChIKeyUOLAJBBNJINEQN-UHFFFAOYSA-N
XLogP2.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 84600007
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 119732398
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
CID 119732397
3-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 43071897
1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86982066
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
CID 53333518
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32568987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 132971214) is (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1c(C(=O)N2CCCc3c2cccc3C(F)(F)F)nnn1C.
What is the InChIKey of (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is UOLAJBBNJINEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9-13(19-20-21(9)2)14(23)22-8-4-5-10-11(15(16,17)18)6-3-7-12(10)22/h3,6-7H,4-5,8H2,1-2H3.
What are the key properties of (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 324.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyltriazol-4-yl)-[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 132971214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).