2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine

C82H54Cl3F7N12 — CID 160626518

About 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine

2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 160626518) has the molecular formula C82H54Cl3F7N12 and a molecular weight of 1446.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine
• PubChem CID: 160626518
• Molecular Formula: C82H54Cl3F7N12
• Molecular Weight: 1446.76 g/mol
• Exact Mass: 1444.35
• IUPAC Name: 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine
• SMILES: Clc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Clc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.FC(F)(F)c1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1
• InChI: InChI=1S/C21H13F4N3.C21H14F3N3.C20H13Cl2N3.C20H14ClN3/c22-16-7-3-1-5-13(16)19-11-20(14-6-2-4-8-17(14)27-19)28-18-9-10-26-12-15(18)21(23,24)25;22-21(23,24)15-5-3-4-14(12-15)19-13-20(26-16-8-10-25-11-9-16)17-6-1-2-7-18(17)27-19;21-13-5-6-17(22)16(11-13)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20;21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19/h1-12H,(H,26,27,28);1-13H,(H,25,26,27);1-12H,(H,23,24,25);1-13H,(H,22,23,24)
• InChIKey: RHJHUHNCKZGUDK-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 151.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.76
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine?

The IUPAC name of 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine (CID 160626518) is 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine.

What is the SMILES notation for 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine?

The canonical SMILES for 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine is Clc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Clc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.FC(F)(F)c1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.

What is the InChIKey of 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine?

The InChIKey is RHJHUHNCKZGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3.C21H14F3N3.C20H13Cl2N3.C20H14ClN3/c22-16-7-3-1-5-13(16)19-11-20(14-6-2-4-8-17(14)27-19)28-18-9-10-26-12-15(18)21(23,24)25;22-21(23,24)15-5-3-4-14(12-15)19-13-20(26-16-8-10-25-11-9-16)17-6-1-2-7-18(17)27-19;21-13-5-6-17(22)16(11-13)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20;21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19/h1-12H,(H,26,27,28);1-13H,(H,25,26,27);1-12H,(H,23,24,25);1-13H,(H,22,23,24).

What are the key properties of 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine?

2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 1446.76 g/mol, XLogP of 24.30, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 160626518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).