methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate

C123H162N28O16 — CID 158017819

About methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 158017819) has the molecular formula C123H162N28O16 and a molecular weight of 2288.83 g/mol. Its IUPAC name is methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 158017819
• Molecular Formula: C123H162N28O16
• Molecular Weight: 2288.83 g/mol
• Exact Mass: 2287.27
• IUPAC Name: methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCC(=O)OC.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCC(=O)OC.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCN
• InChI: InChI=1S/C23H30N4O4.C22H28N4O4.C21H29N5O2.C20H27N5O2.C19H25N5O2.C18H23N5O2/c1-4-5-9-18-26-20-21(27(18)13-8-6-7-10-19(28)30-2)16-12-11-15(23(29)31-3)14-17(16)25-22(20)24;1-4-5-8-17-25-19-20(26(17)12-7-6-9-18(27)29-2)15-11-10-14(22(28)30-3)13-16(15)24-21(19)23;1-3-4-8-17-25-18-19(26(17)12-7-5-6-11-22)15-10-9-14(21(27)28-2)13-16(15)24-20(18)23;1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22;1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21;1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h11-12,14H,4-10,13H2,1-3H3,(H2,24,25);10-11,13H,4-9,12H2,1-3H3,(H2,23,24);9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24);8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23);7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22);6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21)
• InChIKey: FFRMMPWMPVUKTF-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 654.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 49
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.83
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

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 methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 158017819) is methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCC(=O)OC.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCC(=O)OC.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCN.

What is the InChIKey of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is FFRMMPWMPVUKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4.C22H28N4O4.C21H29N5O2.C20H27N5O2.C19H25N5O2.C18H23N5O2/c1-4-5-9-18-26-20-21(27(18)13-8-6-7-10-19(28)30-2)16-12-11-15(23(29)31-3)14-17(16)25-22(20)24;1-4-5-8-17-25-19-20(26(17)12-7-6-9-18(27)29-2)15-11-10-14(22(28)30-3)13-16(15)24-21(19)23;1-3-4-8-17-25-18-19(26(17)12-7-5-6-11-22)15-10-9-14(21(27)28-2)13-16(15)24-20(18)23;1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22;1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21;1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h11-12,14H,4-10,13H2,1-3H3,(H2,24,25);10-11,13H,4-9,12H2,1-3H3,(H2,23,24);9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24);8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23);7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22);6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21).

What are the key properties of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate?

methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 2288.83 g/mol, XLogP of 19.03, 49 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(3-aminopropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(6-methoxy-6-oxohexyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 158017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).