N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine

C₉₀H₁₃₀Cl₃N₂₇O₇ — CID 159866470

About N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine

N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine (PubChem CID 159866470) has the molecular formula C₉₀H₁₃₀Cl₃N₂₇O₇ and a molecular weight of 1808.57 g/mol. Its IUPAC name is N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine.

Molecular Properties

• Compound Name: N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine
• PubChem CID: 159866470
• Molecular Formula: C₉₀H₁₃₀Cl₃N₂₇O₇
• Molecular Weight: 1808.57 g/mol
• Exact Mass: 1805.97
• IUPAC Name: N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine
• SMILES: CCOCc1nc2c(N3CCN(C)CC3)nc3ccccc3c2n1CCN(C)C.CN(C)CCN.CN(C)CCNc1c(N)c(N2CCN(C)CC2)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(N2CCN(C)CC2)nc2ccccc12.CN1CCCCC1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
• InChI: InChI=1S/C22H32N6O.C18H26N6O2.C18H28N6.C13H15ClN4O2.C9H4Cl2N2O2.C6H13N.C4H12N2/c1-5-29-16-19-24-20-21(28(19)15-10-25(2)3)17-8-6-7-9-18(17)23-22(20)27-13-11-26(4)12-14-27;1-21(2)9-8-19-16-14-6-4-5-7-15(14)20-18(17(16)24(25)26)23-12-10-22(3)11-13-23;1-22(2)9-8-20-17-14-6-4-5-7-15(14)21-18(16(17)19)24-12-10-23(3)11-13-24;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;1-7-5-3-2-4-6-7;1-6(2)4-3-5/h6-9H,5,10-16H2,1-4H3;4-7H,8-13H2,1-3H3,(H,19,20);4-7H,8-13,19H2,1-3H3,(H,20,21);3-6H,7-8H2,1-2H3,(H,15,16);1-4H;2-6H2,1H3;3-5H2,1-2H3
• InChIKey: NRUFJZIRZZQPHL-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 347.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.57
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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 N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine?

The IUPAC name of N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine (CID 159866470) is N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine.

What is the SMILES notation for N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine?

The canonical SMILES for N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine is CCOCc1nc2c(N3CCN(C)CC3)nc3ccccc3c2n1CCN(C)C.CN(C)CCN.CN(C)CCNc1c(N)c(N2CCN(C)CC2)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12.CN(C)CCNc1c([N+](=O)[O-])c(N2CCN(C)CC2)nc2ccccc12.CN1CCCCC1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.

What is the InChIKey of N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine?

The InChIKey is NRUFJZIRZZQPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O.C18H26N6O2.C18H28N6.C13H15ClN4O2.C9H4Cl2N2O2.C6H13N.C4H12N2/c1-5-29-16-19-24-20-21(28(19)15-10-25(2)3)17-8-6-7-9-18(17)23-22(20)27-13-11-26(4)12-14-27;1-21(2)9-8-19-16-14-6-4-5-7-15(14)20-18(17(16)24(25)26)23-12-10-22(3)11-13-23;1-22(2)9-8-20-17-14-6-4-5-7-15(14)21-18(16(17)19)24-12-10-23(3)11-13-24;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;1-7-5-3-2-4-6-7;1-6(2)4-3-5/h6-9H,5,10-16H2,1-4H3;4-7H,8-13H2,1-3H3,(H,19,20);4-7H,8-13,19H2,1-3H3,(H,20,21);3-6H,7-8H2,1-2H3,(H,15,16);1-4H;2-6H2,1H3;3-5H2,1-2H3.

What are the key properties of N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine?

N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine has a molecular weight of 1808.57 g/mol, XLogP of 12.67, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-3-nitroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;2,4-dichloro-3-nitroquinoline;4-N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)quinoline-3,4-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-nitroquinolin-4-yl]ethane-1,2-diamine;2-[2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine;1-methylpiperidine is sourced from PubChem (CID 159866470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159866470 — identifiers, structure, computed properties (public domain)

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