9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C17H12ClF3N4 — CID 66576848

IUPAC9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(Cl)cc(-c3cnccc3C(F)(F)F)cc1CC2
InChIInChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3
InChIKeyWFTJPVNBEIWXTI-UHFFFAOYSA-N
MW364.76 g/mol
LogP4.41
Rot. Bonds1

About 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66576848) has the molecular formula C17H12ClF3N4 and a molecular weight of 364.76 g/mol. Its IUPAC name is 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66576848
Molecular FormulaC17H12ClF3N4
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC Name9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(Cl)cc(-c3cnccc3C(F)(F)F)cc1CC2
InChIInChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3
InChIKeyWFTJPVNBEIWXTI-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66576848) is 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2n1-c1c(Cl)cc(-c3cnccc3C(F)(F)F)cc1CC2.
What is the InChIKey of 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is WFTJPVNBEIWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3.
What are the key properties of 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 364.76 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methyl-7-[4-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66576848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).