N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine

C85H103Cl4N25O — CID 163681352

About N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 163681352) has the molecular formula C85H103Cl4N25O and a molecular weight of 1632.74 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine
• PubChem CID: 163681352
• Molecular Formula: C85H103Cl4N25O
• Molecular Weight: 1632.74 g/mol
• Exact Mass: 1629.75
• IUPAC Name: N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine
• SMILES: CCN1CCN(c2cccc(NCCCNc3ccnc4cc(Cl)ccc34)n2)CC1.CN1CCN(c2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)CC1.Clc1ccc2c(NCCCNc3nccc(N4CCCCC4)n3)ccnc2c1.Clc1ccc2c(NCCCNc3nccc(N4CCOCC4)n3)ccnc2c1
• InChI: InChI=1S/C23H29ClN6.C21H26ClN7.C21H25ClN6.C20H23ClN6O/c1-2-29-13-15-30(16-14-29)23-6-3-5-22(28-23)27-11-4-10-25-20-9-12-26-21-17-18(24)7-8-19(20)21;1-28-11-13-29(14-12-28)20-6-10-26-21(27-20)25-8-2-7-23-18-5-9-24-19-15-16(22)3-4-17(18)19;22-16-5-6-17-18(7-11-24-19(17)15-16)23-9-4-10-25-21-26-12-8-20(27-21)28-13-2-1-3-14-28;21-15-2-3-16-17(4-8-23-18(16)14-15)22-6-1-7-24-20-25-9-5-19(26-20)27-10-12-28-13-11-27/h3,5-9,12,17H,2,4,10-11,13-16H2,1H3,(H,25,26)(H,27,28);3-6,9-10,15H,2,7-8,11-14H2,1H3,(H,23,24)(H,25,26,27);5-8,11-12,15H,1-4,9-10,13-14H2,(H,23,24)(H,25,26,27);2-5,8-9,14H,1,6-7,10-13H2,(H,22,23)(H,24,25,26)
• InChIKey: JLCFVTSRCXFVQS-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 266.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.74
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine?

The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine (CID 163681352) is N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine.

What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine?

The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine is CCN1CCN(c2cccc(NCCCNc3ccnc4cc(Cl)ccc34)n2)CC1.CN1CCN(c2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)CC1.Clc1ccc2c(NCCCNc3nccc(N4CCCCC4)n3)ccnc2c1.Clc1ccc2c(NCCCNc3nccc(N4CCOCC4)n3)ccnc2c1.

What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine?

The InChIKey is JLCFVTSRCXFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6.C21H26ClN7.C21H25ClN6.C20H23ClN6O/c1-2-29-13-15-30(16-14-29)23-6-3-5-22(28-23)27-11-4-10-25-20-9-12-26-21-17-18(24)7-8-19(20)21;1-28-11-13-29(14-12-28)20-6-10-26-21(27-20)25-8-2-7-23-18-5-9-24-19-15-16(22)3-4-17(18)19;22-16-5-6-17-18(7-11-24-19(17)15-16)23-9-4-10-25-21-26-12-8-20(27-21)28-13-2-1-3-14-28;21-15-2-3-16-17(4-8-23-18(16)14-15)22-6-1-7-24-20-25-9-5-19(26-20)27-10-12-28-13-11-27/h3,5-9,12,17H,2,4,10-11,13-16H2,1H3,(H,25,26)(H,27,28);3-6,9-10,15H,2,7-8,11-14H2,1H3,(H,23,24)(H,25,26,27);5-8,11-12,15H,1-4,9-10,13-14H2,(H,23,24)(H,25,26,27);2-5,8-9,14H,1,6-7,10-13H2,(H,22,23)(H,24,25,26).

What are the key properties of N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine?

N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 1632.74 g/mol, XLogP of 15.69, 29 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-chloroquinolin-4-yl)-N'-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N'-(4-piperidin-1-ylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 163681352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).