ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate

C104H116N24O13 — CID 159122927

About ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate

ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 159122927) has the molecular formula C104H116N24O13 and a molecular weight of 1910.23 g/mol. Its IUPAC name is ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 159122927
• Molecular Formula: C104H116N24O13
• Molecular Weight: 1910.23 g/mol
• Exact Mass: 1908.92
• IUPAC Name: ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CC(C)Cn1cnc2c(N)nc3cc(C(=O)OC(C)C)ccc3c21.CCOC(=O)c1ccc2c(c1)nc(N)c1ncn(CC(C)C)c12.CCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O.COC(=O)c1ccc2c(c1)nc(N)c1ncn(CC(C)C)c12.COC(=O)c1ccc2c(c1)nc(N)c1ncn(Cc3ccccc3)c12.COC(=O)c1cccc2c1nc(N)c1ncn(CC(C)C)c12
• InChI: InChI=1S/C19H16N4O2.C18H22N4O3.C18H22N4O2.C17H20N4O2.2C16H18N4O2/c1-25-19(24)13-7-8-14-15(9-13)22-18(20)16-17(14)23(11-21-16)10-12-5-3-2-4-6-12;1-5-13-21-14-15(22(13)9-18(2,3)24)11-7-6-10(17(23)25-4)8-12(11)20-16(14)19;1-10(2)8-22-9-20-15-16(22)13-6-5-12(18(23)24-11(3)4)7-14(13)21-17(15)19;1-4-23-17(22)11-5-6-12-13(7-11)20-16(18)14-15(12)21(9-19-14)8-10(2)3;1-9(2)7-20-8-18-13-14(20)11-5-4-10(16(21)22-3)6-12(11)19-15(13)17;1-9(2)7-20-8-18-13-14(20)10-5-4-6-11(16(21)22-3)12(10)19-15(13)17/h2-9,11H,10H2,1H3,(H2,20,22);6-8,24H,5,9H2,1-4H3,(H2,19,20);5-7,9-11H,8H2,1-4H3,(H2,19,21);5-7,9-10H,4,8H2,1-3H3,(H2,18,20);2*4-6,8-9H,7H2,1-3H3,(H2,17,19)
• InChIKey: KFXRBVCSKNVLRN-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 518.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.23
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 159122927) is ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is CC(C)Cn1cnc2c(N)nc3cc(C(=O)OC(C)C)ccc3c21.CCOC(=O)c1ccc2c(c1)nc(N)c1ncn(CC(C)C)c12.CCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O.COC(=O)c1ccc2c(c1)nc(N)c1ncn(CC(C)C)c12.COC(=O)c1ccc2c(c1)nc(N)c1ncn(Cc3ccccc3)c12.COC(=O)c1cccc2c1nc(N)c1ncn(CC(C)C)c12.

What is the InChIKey of ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is KFXRBVCSKNVLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.C18H22N4O3.C18H22N4O2.C17H20N4O2.2C16H18N4O2/c1-25-19(24)13-7-8-14-15(9-13)22-18(20)16-17(14)23(11-21-16)10-12-5-3-2-4-6-12;1-5-13-21-14-15(22(13)9-18(2,3)24)11-7-6-10(17(23)25-4)8-12(11)20-16(14)19;1-10(2)8-22-9-20-15-16(22)13-6-5-12(18(23)24-11(3)4)7-14(13)21-17(15)19;1-4-23-17(22)11-5-6-12-13(7-11)20-16(18)14-15(12)21(9-19-14)8-10(2)3;1-9(2)7-20-8-18-13-14(20)11-5-4-10(16(21)22-3)6-12(11)19-15(13)17;1-9(2)7-20-8-18-13-14(20)10-5-4-6-11(16(21)22-3)12(10)19-15(13)17/h2-9,11H,10H2,1H3,(H2,20,22);6-8,24H,5,9H2,1-4H3,(H2,19,20);5-7,9-11H,8H2,1-4H3,(H2,19,21);5-7,9-10H,4,8H2,1-3H3,(H2,18,20);2*4-6,8-9H,7H2,1-3H3,(H2,17,19).

What are the key properties of ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?

ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 1910.23 g/mol, XLogP of 16.89, 21 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-benzylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-6-carboxylate;methyl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate;propan-2-yl 4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 159122927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).