N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine

C163H192Cl7F7N20O2 — CID 159690706

About N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine

N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine (PubChem CID 159690706) has the molecular formula C163H192Cl7F7N20O2 and a molecular weight of 2844.62 g/mol. Its IUPAC name is N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine.

Molecular Properties

• Compound Name: N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine
• PubChem CID: 159690706
• Molecular Formula: C163H192Cl7F7N20O2
• Molecular Weight: 2844.62 g/mol
• Exact Mass: 2839.32
• IUPAC Name: N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine
• SMILES: CC(C)(C)CCCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.Cc1cc(OCC(F)(F)F)cc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)c1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1F.Cc1cccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)c1
• InChI: InChI=1S/C25H29ClF3N3O.C23H24ClF3N2O.C23H27ClFN3.4C23H28ClN3/c1-16-10-17(12-19(11-16)33-15-25(27,28)29)21-14-31-22-13-18(26)6-7-20(22)23(21)30-8-5-9-32-24(2,3)4;1-22(2,3)11-4-12-28-21-18-10-7-16(24)13-20(18)29-14-19(21)15-5-8-17(9-6-15)30-23(25,26)27;1-15-6-7-16(12-20(15)25)19-14-27-21-13-17(24)8-9-18(21)22(19)26-10-5-11-28-23(2,3)4;3*1-16-6-8-17(9-7-16)20-15-26-21-14-18(24)10-11-19(21)22(20)25-12-5-13-27-23(2,3)4;1-16-7-5-8-17(13-16)20-15-26-21-14-18(24)9-10-19(21)22(20)25-11-6-12-27-23(2,3)4/h6-7,10-14,32H,5,8-9,15H2,1-4H3,(H,30,31);5-10,13-14H,4,11-12H2,1-3H3,(H,28,29);6-9,12-14,28H,5,10-11H2,1-4H3,(H,26,27);3*6-11,14-15,27H,5,12-13H2,1-4H3,(H,25,26);5,7-10,13-15,27H,6,11-12H2,1-4H3,(H,25,26)
• InChIKey: MWJJUIGTPABCRT-UHFFFAOYSA-N
• XLogP: 45.09
• TPSA: 265.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 44
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2844.62
LogP ≤ 5	45.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine?

The IUPAC name of N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine (CID 159690706) is N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine.

What is the SMILES notation for N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine?

The canonical SMILES for N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine is CC(C)(C)CCCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.Cc1cc(OCC(F)(F)F)cc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)c1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1.Cc1ccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)cc1F.Cc1cccc(-c2cnc3cc(Cl)ccc3c2NCCCNC(C)(C)C)c1.

What is the InChIKey of N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine?

The InChIKey is MWJJUIGTPABCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N3O.C23H24ClF3N2O.C23H27ClFN3.4C23H28ClN3/c1-16-10-17(12-19(11-16)33-15-25(27,28)29)21-14-31-22-13-18(26)6-7-20(22)23(21)30-8-5-9-32-24(2,3)4;1-22(2,3)11-4-12-28-21-18-10-7-16(24)13-20(18)29-14-19(21)15-5-8-17(9-6-15)30-23(25,26)27;1-15-6-7-16(12-20(15)25)19-14-27-21-13-17(24)8-9-18(21)22(19)26-10-5-11-28-23(2,3)4;3*1-16-6-8-17(9-7-16)20-15-26-21-14-18(24)10-11-19(21)22(20)25-12-5-13-27-23(2,3)4;1-16-7-5-8-17(13-16)20-15-26-21-14-18(24)9-10-19(21)22(20)25-11-6-12-27-23(2,3)4/h6-7,10-14,32H,5,8-9,15H2,1-4H3,(H,30,31);5-10,13-14H,4,11-12H2,1-3H3,(H,28,29);6-9,12-14,28H,5,10-11H2,1-4H3,(H,26,27);3*6-11,14-15,27H,5,12-13H2,1-4H3,(H,25,26);5,7-10,13-15,27H,6,11-12H2,1-4H3,(H,25,26).

What are the key properties of N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine?

N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine has a molecular weight of 2844.62 g/mol, XLogP of 45.09, 44 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N'-tert-butyl-N-[7-chloro-3-(3-fluoro-4-methylphenyl)quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(3-methylphenyl)quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]quinolin-4-yl]propane-1,3-diamine;7-chloro-N-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine is sourced from PubChem (CID 159690706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).