methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

C191H215N35O17 — CID 157272369

About methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 157272369) has the molecular formula C191H215N35O17 and a molecular weight of 3273.05 g/mol. Its IUPAC name is methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 157272369
• Molecular Formula: C191H215N35O17
• Molecular Weight: 3273.05 g/mol
• Exact Mass: 3270.70
• IUPAC Name: methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN(CC)CC)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(Cn2cccc2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(Cn2ccnc2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc2c(c1)OCO2.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1cccc(CN2CCCC2)c1
• InChI: InChI=1S/C28H33N5O3.2C28H33N5O2.C28H29N5O2.C28H35N5O2.C27H28N6O2.C24H24N4O4/c1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32;1-3-4-10-24-31-25-26(22-12-11-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-9-7-8-19(15-20)17-32-13-5-6-14-32;2*1-3-4-7-24-31-25-26(22-13-12-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-10-8-19(9-11-20)17-32-14-5-6-15-32;1-5-8-9-24-31-25-26(22-15-14-21(28(34)35-4)16-23(22)30-27(25)29)33(24)18-20-12-10-19(11-13-20)17-32(6-2)7-3;1-3-4-5-23-31-24-25(21-11-10-20(27(34)35-2)14-22(21)30-26(24)28)33(23)16-19-8-6-18(7-9-19)15-32-13-12-29-17-32;1-3-4-5-20-27-21-22(28(20)12-14-6-9-18-19(10-14)32-13-31-18)16-8-7-15(24(29)30-2)11-17(16)26-23(21)25/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30);7-9,11-12,15-16H,3-6,10,13-14,17-18H2,1-2H3,(H2,29,30);8-13,16H,3-7,14-15,17-18H2,1-2H3,(H2,29,30);5-6,8-16H,3-4,7,17-18H2,1-2H3,(H2,29,30);10-16H,5-9,17-18H2,1-4H3,(H2,29,30);6-14,17H,3-5,15-16H2,1-2H3,(H2,28,30);6-11H,3-5,12-13H2,1-2H3,(H2,25,26)
• InChIKey: AYROMHZOQRWXOC-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 644.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 52
• Rotatable Bonds: 56
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3273.05
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	52

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-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 157272369) is methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN(CC)CC)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(Cn2cccc2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(Cn2ccnc2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc2c(c1)OCO2.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1cccc(CN2CCCC2)c1.

What is the InChIKey of methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is AYROMHZOQRWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3.2C28H33N5O2.C28H29N5O2.C28H35N5O2.C27H28N6O2.C24H24N4O4/c1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32;1-3-4-10-24-31-25-26(22-12-11-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-9-7-8-19(15-20)17-32-13-5-6-14-32;2*1-3-4-7-24-31-25-26(22-13-12-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-10-8-19(9-11-20)17-32-14-5-6-15-32;1-5-8-9-24-31-25-26(22-15-14-21(28(34)35-4)16-23(22)30-27(25)29)33(24)18-20-12-10-19(11-13-20)17-32(6-2)7-3;1-3-4-5-23-31-24-25(21-11-10-20(27(34)35-2)14-22(21)30-26(24)28)33(23)16-19-8-6-18(7-9-19)15-32-13-12-29-17-32;1-3-4-5-20-27-21-22(28(20)12-14-6-9-18-19(10-14)32-13-31-18)16-8-7-15(24(29)30-2)11-17(16)26-23(21)25/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30);7-9,11-12,15-16H,3-6,10,13-14,17-18H2,1-2H3,(H2,29,30);8-13,16H,3-7,14-15,17-18H2,1-2H3,(H2,29,30);5-6,8-16H,3-4,7,17-18H2,1-2H3,(H2,29,30);10-16H,5-9,17-18H2,1-4H3,(H2,29,30);6-14,17H,3-5,15-16H2,1-2H3,(H2,28,30);6-11H,3-5,12-13H2,1-2H3,(H2,25,26).

What are the key properties of methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 3273.05 g/mol, XLogP of 33.10, 56 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(diethylaminomethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 157272369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).