methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate

C96H106N20O9 — CID 159680552

About methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 159680552) has the molecular formula C96H106N20O9 and a molecular weight of 1684.03 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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 159680552
• Molecular Formula: C96H106N20O9
• Molecular Weight: 1684.03 g/mol
• Exact Mass: 1682.85
• IUPAC Name: methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1c[nH]c2ccccc12.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(CN)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(O)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1cnc[nH]1
• InChI: InChI=1S/C26H27N5O2.C25H29N5O2.C24H26N4O3.C21H24N6O2/c1-3-4-9-22-30-23-24(19-11-10-16(26(32)33-2)14-21(19)29-25(23)27)31(22)13-12-17-15-28-20-8-6-5-7-18(17)20;1-3-4-5-21-29-22-23(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;1-3-4-5-20-27-21-22(28(20)13-12-15-6-9-17(29)10-7-15)18-11-8-16(24(30)31-2)14-19(18)26-23(21)25;1-3-4-5-17-26-18-19(27(17)9-8-14-11-23-12-24-14)15-7-6-13(21(28)29-2)10-16(15)25-20(18)22/h5-8,10-11,14-15,28H,3-4,9,12-13H2,1-2H3,(H2,27,29);6-11,14H,3-5,12-13,15,26H2,1-2H3,(H2,27,28);6-11,14,29H,3-5,12-13H2,1-2H3,(H2,25,26);6-7,10-12H,3-5,8-9H2,1-2H3,(H2,22,25)(H,23,24)
• InChIKey: MVDSBLBRZNHFKZ-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 422.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.03
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 159680552) is methyl 4-amino-1-[2-[4-(aminomethyl)phenyl]ethyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1c[nH]c2ccccc12.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(CN)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1ccc(O)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCc1cnc[nH]1.

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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is MVDSBLBRZNHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.C25H29N5O2.C24H26N4O3.C21H24N6O2/c1-3-4-9-22-30-23-24(19-11-10-16(26(32)33-2)14-21(19)29-25(23)27)31(22)13-12-17-15-28-20-8-6-5-7-18(17)20;1-3-4-5-21-29-22-23(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;1-3-4-5-20-27-21-22(28(20)13-12-15-6-9-17(29)10-7-15)18-11-8-16(24(30)31-2)14-19(18)26-23(21)25;1-3-4-5-17-26-18-19(27(17)9-8-14-11-23-12-24-14)15-7-6-13(21(28)29-2)10-16(15)25-20(18)22/h5-8,10-11,14-15,28H,3-4,9,12-13H2,1-2H3,(H2,27,29);6-11,14H,3-5,12-13,15,26H2,1-2H3,(H2,27,28);6-11,14,29H,3-5,12-13H2,1-2H3,(H2,25,26);6-7,10-12H,3-5,8-9H2,1-2H3,(H2,22,25)(H,23,24).

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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 1684.03 g/mol, XLogP of 16.52, 29 rotatable bonds, 8 hydrogen bond donors, and 27 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-2-butyl-1-[2-(4-hydroxyphenyl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[2-(1H-indol-3-yl)ethyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 159680552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).