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

C80H53Cl2F6N13 — CID 158233591

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

2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 158233591) has the molecular formula C80H53Cl2F6N13 and a molecular weight of 1381.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
• PubChem CID: 158233591
• Molecular Formula: C80H53Cl2F6N13
• Molecular Weight: 1381.29 g/mol
• Exact Mass: 1379.38
• IUPAC Name: 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
• SMILES: Clc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2ccccc2n1
• InChI: InChI=1S/C21H13F4N3.C20H13Cl2N3.C20H14FN3.C19H13FN4/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;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;20-15-7-3-1-5-13(15)17-11-18(24-19-9-10-21-12-22-19)14-6-2-4-8-16(14)23-17/h1-12H,(H,26,27,28);1-12H,(H,23,24,25);1-13H,(H,22,23,24);1-12H,(H,21,22,23,24)
• InChIKey: GERLGIHGDUCNLQ-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 164.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.29
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (CID 158233591) is 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine.

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

The canonical SMILES for 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is Clc1ccc(Cl)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2ccccc2n1.

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

The InChIKey is GERLGIHGDUCNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3.C20H13Cl2N3.C20H14FN3.C19H13FN4/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;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;20-15-7-3-1-5-13(15)17-11-18(24-19-9-10-21-12-22-19)14-6-2-4-8-16(14)23-17/h1-12H,(H,26,27,28);1-12H,(H,23,24,25);1-13H,(H,22,23,24);1-12H,(H,21,22,23,24).

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

2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 1381.29 g/mol, XLogP of 22.30, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 158233591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).