4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline

C20H15ClF3N3 — CID 68661085

IUPAC4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)NCCC3c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2
InChIKeyILPGXQBGCYEMTR-UHFFFAOYSA-N
MW389.81 g/mol
LogP5.76
Rot. Bonds2

About 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline

4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 68661085) has the molecular formula C20H15ClF3N3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID68661085
Molecular FormulaC20H15ClF3N3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)NCCC3c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2
InChIKeyILPGXQBGCYEMTR-UHFFFAOYSA-N
XLogP5.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.81
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline 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 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline (CID 68661085) is 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccc(-c2ccc3c(c2)NCCC3c2ccc(Cl)cc2)nn1.
What is the InChIKey of 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ILPGXQBGCYEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline?
4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 389.81 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-[6-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 68661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).