ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate

C97H137N15O10 — CID 157349637

About ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate

ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate (PubChem CID 157349637) has the molecular formula C97H137N15O10 and a molecular weight of 1673.26 g/mol. Its IUPAC name is ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate
• PubChem CID: 157349637
• Molecular Formula: C97H137N15O10
• Molecular Weight: 1673.26 g/mol
• Exact Mass: 1672.07
• IUPAC Name: ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate
• SMILES: CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(CC)CC.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN1CCCC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNC.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNC(C)C
• InChI: InChI=1S/C21H29N3O2.C21H31N3O2.C20H29N3O2.C18H25N3O2.C17H23N3O2/c1-4-26-21(25)18-14-23-19-16(3)12-15(2)13-17(19)20(18)22-8-7-11-24-9-5-6-10-24;1-6-24(7-2)11-9-10-22-20-17-13-15(4)12-16(5)19(17)23-14-18(20)21(25)26-8-3;1-6-25-20(24)17-12-23-18-15(5)10-14(4)11-16(18)19(17)22-9-7-8-21-13(2)3;1-5-23-18(22)15-11-21-16-13(3)9-12(2)10-14(16)17(15)20-8-6-7-19-4;1-4-22-17(21)14-10-20-15-12(3)8-11(2)9-13(15)16(14)19-7-5-6-18/h12-14H,4-11H2,1-3H3,(H,22,23);12-14H,6-11H2,1-5H3,(H,22,23);10-13,21H,6-9H2,1-5H3,(H,22,23);9-11,19H,5-8H2,1-4H3,(H,20,21);8-10H,4-7,18H2,1-3H3,(H,19,20)
• InChIKey: BHJKZKHLUVWMBI-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 312.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1673.26
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate?

The IUPAC name of ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate (CID 157349637) is ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate.

What is the SMILES notation for ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate?

The canonical SMILES for ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(CC)CC.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN1CCCC1.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNC.CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCNC(C)C.

What is the InChIKey of ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate?

The InChIKey is BHJKZKHLUVWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.C21H31N3O2.C20H29N3O2.C18H25N3O2.C17H23N3O2/c1-4-26-21(25)18-14-23-19-16(3)12-15(2)13-17(19)20(18)22-8-7-11-24-9-5-6-10-24;1-6-24(7-2)11-9-10-22-20-17-13-15(4)12-16(5)19(17)23-14-18(20)21(25)26-8-3;1-6-25-20(24)17-12-23-18-15(5)10-14(4)11-16(18)19(17)22-9-7-8-21-13(2)3;1-5-23-18(22)15-11-21-16-13(3)9-12(2)10-14(16)17(15)20-8-6-7-19-4;1-4-22-17(21)14-10-20-15-12(3)8-11(2)9-13(15)16(14)19-7-5-6-18/h12-14H,4-11H2,1-3H3,(H,22,23);12-14H,6-11H2,1-5H3,(H,22,23);10-13,21H,6-9H2,1-5H3,(H,22,23);9-11,19H,5-8H2,1-4H3,(H,20,21);8-10H,4-7,18H2,1-3H3,(H,19,20).

What are the key properties of ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate?

ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate has a molecular weight of 1673.26 g/mol, XLogP of 17.77, 37 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(3-aminopropylamino)-6,8-dimethylquinoline-3-carboxylate;ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(methylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylate;ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate is sourced from PubChem (CID 157349637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).