2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine

C89H137Cl3N28O7 — CID 158806179

About 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine

2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 158806179) has the molecular formula C89H137Cl3N28O7 and a molecular weight of 1817.62 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine
• PubChem CID: 158806179
• Molecular Formula: C89H137Cl3N28O7
• Molecular Weight: 1817.62 g/mol
• Exact Mass: 1815.03
• IUPAC Name: 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine
• SMILES: CCOCc1nc2c(N(C)CCN(C)C)nc3ccccc3c2n1CCN(C)C.CN(C)CCN.CN(C)CCNc1c(N)c(N(C)CCN(C)C)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(N(C)CCN(C)C)nc2ccccc12.CNCCN(C)C.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
• InChI: InChI=1S/C22H34N6O.C18H28N6O2.C18H30N6.C13H15ClN4O2.C9H4Cl2N2O2.C5H14N2.C4H12N2/c1-7-29-16-19-24-20-21(28(19)15-13-26(4)5)17-10-8-9-11-18(17)23-22(20)27(6)14-12-25(2)3;1-21(2)11-10-19-16-14-8-6-7-9-15(14)20-18(17(16)24(25)26)23(5)13-12-22(3)4;1-22(2)11-10-20-17-14-8-6-7-9-15(14)21-18(16(17)19)24(5)13-12-23(3)4;1-17(2)8-7-15-11-9-5-3-4-6-10(9)16-13(14)12(11)18(19)20;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-6-4-5-7(2)3;1-6(2)4-3-5/h8-11H,7,12-16H2,1-6H3;6-9H,10-13H2,1-5H3,(H,19,20);6-9H,10-13,19H2,1-5H3,(H,20,21);3-6H,7-8H2,1-2H3,(H,15,16);1-4H;6H,4-5H2,1-3H3;3-5H2,1-2H3
• InChIKey: IUCKLWBSOLECDU-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 359.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.62
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine?

The IUPAC name of 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine (CID 158806179) is 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine.

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

The canonical SMILES for 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine is CCOCc1nc2c(N(C)CCN(C)C)nc3ccccc3c2n1CCN(C)C.CN(C)CCN.CN(C)CCNc1c(N)c(N(C)CCN(C)C)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(N(C)CCN(C)C)nc2ccccc12.CNCCN(C)C.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.

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

The InChIKey is IUCKLWBSOLECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O.C18H28N6O2.C18H30N6.C13H15ClN4O2.C9H4Cl2N2O2.C5H14N2.C4H12N2/c1-7-29-16-19-24-20-21(28(19)15-13-26(4)5)17-10-8-9-11-18(17)23-22(20)27(6)14-12-25(2)3;1-21(2)11-10-19-16-14-8-6-7-9-15(14)20-18(17(16)24(25)26)23(5)13-12-22(3)4;1-22(2)11-10-20-17-14-8-6-7-9-15(14)21-18(16(17)19)24(5)13-12-23(3)4;1-17(2)8-7-15-11-9-5-3-4-6-10(9)16-13(14)12(11)18(19)20;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-6-4-5-7(2)3;1-6(2)4-3-5/h8-11H,7,12-16H2,1-6H3;6-9H,10-13H2,1-5H3,(H,19,20);6-9H,10-13,19H2,1-5H3,(H,20,21);3-6H,7-8H2,1-2H3,(H,15,16);1-4H;6H,4-5H2,1-3H3;3-5H2,1-2H3.

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

2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 1817.62 g/mol, XLogP of 12.08, 38 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methyl-3-nitroquinoline-2,4-diamine;2-N,4-N-bis[2-(dimethylamino)ethyl]-2-N-methylquinoline-2,3,4-triamine;N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;N'-[1-[2-(dimethylamino)ethyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158806179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).