(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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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).