2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C36H31Cl2F3N6O2 — CID 145341963

About 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 145341963) has the molecular formula C36H31Cl2F3N6O2 and a molecular weight of 707.58 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 145341963
• Molecular Formula: C36H31Cl2F3N6O2
• Molecular Weight: 707.58 g/mol
• Exact Mass: 706.18
• IUPAC Name: 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
• SMILES: CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(F)(F)F.Clc1ccccc1-c1nnc(CN2CCCc3ccccc32)o1
• InChI: InChI=1S/C18H15ClF3N3O.C18H16ClN3O/c1-25(10-12-6-2-4-8-14(12)18(20,21)22)11-16-23-24-17(26-16)13-7-3-5-9-15(13)19;19-15-9-3-2-8-14(15)18-21-20-17(23-18)12-22-11-5-7-13-6-1-4-10-16(13)22/h2-9H,10-11H2,1H3;1-4,6,8-10H,5,7,11-12H2
• InChIKey: FFEXBGLUJOWTBP-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 84.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.58
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?

The IUPAC name of 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 145341963) is 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

What is the SMILES notation for 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?

The canonical SMILES for 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(F)(F)F.Clc1ccccc1-c1nnc(CN2CCCc3ccccc32)o1.

What is the InChIKey of 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?

The InChIKey is FFEXBGLUJOWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O.C18H16ClN3O/c1-25(10-12-6-2-4-8-14(12)18(20,21)22)11-16-23-24-17(26-16)13-7-3-5-9-15(13)19;19-15-9-3-2-8-14(15)18-21-20-17(23-18)12-22-11-5-7-13-6-1-4-10-16(13)22/h2-9H,10-11H2,1H3;1-4,6,8-10H,5,7,11-12H2.

What are the key properties of 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?

2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 707.58 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3,4-oxadiazole;N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 145341963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).