4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine

C93H103Cl4F9N12O3 — CID 157260539

About 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine

4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 157260539) has the molecular formula C93H103Cl4F9N12O3 and a molecular weight of 1749.72 g/mol. Its IUPAC name is 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine
• PubChem CID: 157260539
• Molecular Formula: C93H103Cl4F9N12O3
• Molecular Weight: 1749.72 g/mol
• Exact Mass: 1746.69
• IUPAC Name: 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine
• SMILES: CCN(CC)CCCC(C)Nc1c(-c2ccc(C)cc2)cnc2cc(Cl)ccc12.CCN(CC)CCCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.CCN(CC)CCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.FC(F)(F)Oc1ccc(-c2cnc3cc(Cl)ccc3c2NCCC2CCCCN2)cc1
• InChI: InChI=1S/C25H32ClN3.C23H23ClF3N3O.C23H25ClF3N3O.C22H23ClF3N3O/c1-5-29(6-2)15-7-8-19(4)28-25-22-14-13-21(26)16-24(22)27-17-23(25)20-11-9-18(3)10-12-20;24-16-6-9-19-21(13-16)30-14-20(15-4-7-18(8-5-15)31-23(25,26)27)22(19)29-12-10-17-3-1-2-11-28-17;1-3-30(4-2)13-5-12-28-22-19-11-8-17(24)14-21(19)29-15-20(22)16-6-9-18(10-7-16)31-23(25,26)27;1-3-29(4-2)12-11-27-21-18-10-7-16(23)13-20(18)28-14-19(21)15-5-8-17(9-6-15)30-22(24,25)26/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,27,28);4-9,13-14,17,28H,1-3,10-12H2,(H,29,30);6-11,14-15H,3-5,12-13H2,1-2H3,(H,28,29);5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28)
• InChIKey: AXKAGIXYIACMAW-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 149.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.72
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The IUPAC name of 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine (CID 157260539) is 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine.

What is the SMILES notation for 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The canonical SMILES for 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCC(C)Nc1c(-c2ccc(C)cc2)cnc2cc(Cl)ccc12.CCN(CC)CCCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.CCN(CC)CCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.FC(F)(F)Oc1ccc(-c2cnc3cc(Cl)ccc3c2NCCC2CCCCN2)cc1.

What is the InChIKey of 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The InChIKey is AXKAGIXYIACMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3.C23H23ClF3N3O.C23H25ClF3N3O.C22H23ClF3N3O/c1-5-29(6-2)15-7-8-19(4)28-25-22-14-13-21(26)16-24(22)27-17-23(25)20-11-9-18(3)10-12-20;24-16-6-9-19-21(13-16)30-14-20(15-4-7-18(8-5-15)31-23(25,26)27)22(19)29-12-10-17-3-1-2-11-28-17;1-3-30(4-2)13-5-12-28-22-19-11-8-17(24)14-21(19)29-15-20(22)16-6-9-18(10-7-16)31-23(25,26)27;1-3-29(4-2)12-11-27-21-18-10-7-16(23)13-20(18)28-14-19(21)15-5-8-17(9-6-15)30-22(24,25)26/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,27,28);4-9,13-14,17,28H,1-3,10-12H2,(H,29,30);6-11,14-15H,3-5,12-13H2,1-2H3,(H,28,29);5-10,13-14H,3-4,11-12H2,1-2H3,(H,27,28).

What are the key properties of 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine?

4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 1749.72 g/mol, XLogP of 25.99, 32 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;7-chloro-N-(2-piperidin-2-ylethyl)-3-[4-(trifluoromethoxy)phenyl]quinolin-4-amine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylethane-1,2-diamine;N-[7-chloro-3-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 157260539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).