4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate

C119H147N21O17 — CID 157329534

About 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate

4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 157329534) has the molecular formula C119H147N21O17 and a molecular weight of 2143.61 g/mol. Its IUPAC name is 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 157329534
• Molecular Formula: C119H147N21O17
• Molecular Weight: 2143.61 g/mol
• Exact Mass: 2142.13
• IUPAC Name: 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCCCCCC(=O)OC(C)Cn1c(CCCC)nc2c(N)nc3cc(C(=O)OC)ccc3c21.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(C)=O.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOCc1ccccc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1
• InChI: InChI=1S/C28H40N4O4.C25H28N4O3.C24H24N4O4.C21H29N5O2.C21H26N4O4/c1-5-7-9-10-11-12-14-24(33)36-19(3)18-32-23(13-8-6-2)31-25-26(32)21-16-15-20(28(34)35-4)17-22(21)30-27(25)29;1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26;1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25;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;1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h15-17,19H,5-14,18H2,1-4H3,(H2,29,30);5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27);6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30);9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24);8-10,12H,5-7,11H2,1-4H3,(H2,22,23)
• InChIKey: BFCVTNIENVPDFW-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 540.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 46
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.61
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

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 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 157329534) is 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCCCCCC(=O)OC(C)Cn1c(CCCC)nc2c(N)nc3cc(C(=O)OC)ccc3c21.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(C)=O.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCCN.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOCc1ccccc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)O)cc1.

What is the InChIKey of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is BFCVTNIENVPDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4.C25H28N4O3.C24H24N4O4.C21H29N5O2.C21H26N4O4/c1-5-7-9-10-11-12-14-24(33)36-19(3)18-32-23(13-8-6-2)31-25-26(32)21-16-15-20(28(34)35-4)17-22(21)30-27(25)29;1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26;1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25;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;1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h15-17,19H,5-14,18H2,1-4H3,(H2,29,30);5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27);6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30);9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24);8-10,12H,5-7,11H2,1-4H3,(H2,22,23).

What are the key properties of 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?

4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 2143.61 g/mol, XLogP of 21.21, 46 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-amino-2-butyl-7-methoxycarbonylimidazo[4,5-c]quinolin-1-yl)methyl]benzoic acid;methyl 1-(2-acetyloxypropyl)-4-amino-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-2-butyl-1-(2-nonanoyloxypropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 157329534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).