2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine

C105H163Cl3N32O7 — CID 158076904

About 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine

2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 158076904) has the molecular formula C105H163Cl3N32O7 and a molecular weight of 2092.03 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine
• PubChem CID: 158076904
• Molecular Formula: C105H163Cl3N32O7
• Molecular Weight: 2092.03 g/mol
• Exact Mass: 2089.24
• IUPAC Name: 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine
• SMILES: CCCCN(C)C.CCOCc1nc2c(N(C)CCN(C)C)nc3ccccc3c2n1CCN1CCN(C)CC1.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1N.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1[N+](=O)[O-].CN1CCN(CCN)CC1.CN1CCN(CCNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
• InChI: InChI=1S/C25H39N7O.C21H33N7O2.C21H35N7.C16H20ClN5O2.C9H4Cl2N2O2.C7H17N3.C6H15N/c1-6-33-19-22-27-23-24(32(22)18-17-31-15-12-29(4)13-16-31)20-9-7-8-10-21(20)26-25(23)30(5)14-11-28(2)3;1-24(2)11-14-26(4)21-20(28(29)30)19(17-7-5-6-8-18(17)23-21)22-9-10-27-15-12-25(3)13-16-27;1-25(2)11-14-27(4)21-19(22)20(17-7-5-6-8-18(17)24-21)23-9-10-28-15-12-26(3)13-16-28;1-20-8-10-21(11-9-20)7-6-18-14-12-4-2-3-5-13(12)19-16(17)15(14)22(23)24;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-9-4-6-10(3-2-8)7-5-9;1-4-5-6-7(2)3/h7-10H,6,11-19H2,1-5H3;5-8H,9-16H2,1-4H3,(H,22,23);5-8H,9-16,22H2,1-4H3,(H,23,24);2-5H,6-11H2,1H3,(H,18,19);1-4H;2-8H2,1H3;4-6H2,1-3H3
• InChIKey: FMMFATIPTLOUKR-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 364.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.03
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine?

The IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine (CID 158076904) is 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine.

What is the SMILES notation for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine?

The canonical SMILES for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine is CCCCN(C)C.CCOCc1nc2c(N(C)CCN(C)C)nc3ccccc3c2n1CCN1CCN(C)CC1.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1N.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1[N+](=O)[O-].CN1CCN(CCN)CC1.CN1CCN(CCNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.

What is the InChIKey of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine?

The InChIKey is FMMFATIPTLOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O.C21H33N7O2.C21H35N7.C16H20ClN5O2.C9H4Cl2N2O2.C7H17N3.C6H15N/c1-6-33-19-22-27-23-24(32(22)18-17-31-15-12-29(4)13-16-31)20-9-7-8-10-21(20)26-25(23)30(5)14-11-28(2)3;1-24(2)11-14-26(4)21-20(28(29)30)19(17-7-5-6-8-18(17)23-21)22-9-10-27-15-12-25(3)13-16-27;1-25(2)11-14-27(4)21-19(22)20(17-7-5-6-8-18(17)24-21)23-9-10-28-15-12-26(3)13-16-28;1-20-8-10-21(11-9-20)7-6-18-14-12-4-2-3-5-13(12)19-16(17)15(14)22(23)24;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-9-4-6-10(3-2-8)7-5-9;1-4-5-6-7(2)3/h7-10H,6,11-19H2,1-5H3;5-8H,9-16H2,1-4H3,(H,22,23);5-8H,9-16,22H2,1-4H3,(H,23,24);2-5H,6-11H2,1H3,(H,18,19);1-4H;2-8H2,1H3;4-6H2,1-3H3.

What are the key properties of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine?

2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 2092.03 g/mol, XLogP of 12.09, 38 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2,4-dichloro-3-nitroquinoline;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2,3,4-triamine;N,N-dimethylbutan-1-amine;N'-[2-(ethoxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 158076904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).