methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate

C114H126N24O10S — CID 167534407

About methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 167534407) has the molecular formula C114H126N24O10S and a molecular weight of 2024.49 g/mol. Its IUPAC name is methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 167534407
• Molecular Formula: C114H126N24O10S
• Molecular Weight: 2024.49 g/mol
• Exact Mass: 2022.98
• IUPAC Name: methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(CN)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccccc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1cccs1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccn(CN)c1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccncc1
• InChI: InChI=1S/C25H29N5O2.C24H26N4O2.C22H26N6O2.C22H23N5O2.C21H22N4O2S/c1-3-4-5-21-29-22-23(30(21)13-12-16-6-8-17(15-26)9-7-16)19-11-10-18(25(31)32-2)14-20(19)28-24(22)27;1-3-4-10-20-27-21-22(28(20)14-13-16-8-6-5-7-9-16)18-12-11-17(24(29)30-2)15-19(18)26-23(21)25;1-3-4-5-18-26-19-20(28(18)12-14-8-9-27(11-14)13-23)16-7-6-15(22(29)30-2)10-17(16)25-21(19)24;1-3-4-5-18-26-19-20(27(18)13-14-8-10-24-11-9-14)16-7-6-15(22(28)29-2)12-17(16)25-21(19)23;1-3-4-7-17-24-18-19(25(17)12-14-6-5-10-28-14)15-9-8-13(21(26)27-2)11-16(15)23-20(18)22/h6-11,14H,3-5,12-13,15,26H2,1-2H3,(H2,27,28);5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H2,25,26);6-11H,3-5,12-13,23H2,1-2H3,(H2,24,25);6-12H,3-5,13H2,1-2H3,(H2,23,25);5-6,8-11H,3-4,7,12H2,1-2H3,(H2,22,23)
• InChIKey: AJPCPESNFQGTMS-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 485.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2024.49
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 167534407) is methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(CN)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccccc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1cccs1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccn(CN)c1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccncc1.

What is the InChIKey of methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is AJPCPESNFQGTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C24H26N4O2.C22H26N6O2.C22H23N5O2.C21H22N4O2S/c1-3-4-5-21-29-22-23(30(21)13-12-16-6-8-17(15-26)9-7-16)19-11-10-18(25(31)32-2)14-20(19)28-24(22)27;1-3-4-10-20-27-21-22(28(20)14-13-16-8-6-5-7-9-16)18-12-11-17(24(29)30-2)15-19(18)26-23(21)25;1-3-4-5-18-26-19-20(28(18)12-14-8-9-27(11-14)13-23)16-7-6-15(22(29)30-2)10-17(16)25-21(19)24;1-3-4-5-18-26-19-20(27(18)13-14-8-10-24-11-9-14)16-7-6-15(22(28)29-2)12-17(16)25-21(19)23;1-3-4-7-17-24-18-19(25(17)12-14-6-5-10-28-14)15-9-8-13(21(26)27-2)11-16(15)23-20(18)22/h6-11,14H,3-5,12-13,15,26H2,1-2H3,(H2,27,28);5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H2,25,26);6-11H,3-5,12-13,23H2,1-2H3,(H2,24,25);6-12H,3-5,13H2,1-2H3,(H2,23,25);5-6,8-11H,3-4,7,12H2,1-2H3,(H2,22,23).

What are the key properties of methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate?

methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 2024.49 g/mol, XLogP of 19.74, 34 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 167534407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).