6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline

C24H17ClF3N5 — CID 129131794

IUPAC6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline
SMILESCCc1nc2ccc(-n3nnc4ccccc43)cc2c(Cl)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H17ClF3N5/c1-2-18-16(11-14-7-10-22(29-13-14)24(26,27)28)23(25)17-12-15(8-9-19(17)30-18)33-21-6-4-3-5-20(21)31-32-33/h3-10,12-13H,2,11H2,1H3
InChIKeyZZJQASMAIUAYDS-UHFFFAOYSA-N
MW467.88 g/mol
LogP6.19
Rot. Bonds4

About 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline

6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline (PubChem CID 129131794) has the molecular formula C24H17ClF3N5 and a molecular weight of 467.88 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline
PubChem CID129131794
Molecular FormulaC24H17ClF3N5
Molecular Weight467.88 g/mol
Exact Mass467.11
IUPAC Name6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline
SMILESCCc1nc2ccc(-n3nnc4ccccc43)cc2c(Cl)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H17ClF3N5/c1-2-18-16(11-14-7-10-22(29-13-14)24(26,27)28)23(25)17-12-15(8-9-19(17)30-18)33-21-6-4-3-5-20(21)31-32-33/h3-10,12-13H,2,11H2,1H3
InChIKeyZZJQASMAIUAYDS-UHFFFAOYSA-N
XLogP6.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline?
The IUPAC name of 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline (CID 129131794) is 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline.
What is the SMILES notation for 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline?
The canonical SMILES for 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline is CCc1nc2ccc(-n3nnc4ccccc43)cc2c(Cl)c1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline?
The InChIKey is ZZJQASMAIUAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5/c1-2-18-16(11-14-7-10-22(29-13-14)24(26,27)28)23(25)17-12-15(8-9-19(17)30-18)33-21-6-4-3-5-20(21)31-32-33/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline?
6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline has a molecular weight of 467.88 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline is sourced from PubChem (CID 129131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).