1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol

C100H132ClN19O23 — CID 162171811

IUPAC1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN.CCOCC(=O)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c[n+]([O-])c3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2cnc3cccc(OC)c3c2n1CC(C)(C)O.COc1cccc2ncc(N)c(NCC(C)(C)O)c12.COc1cccc2ncc([N+](=O)[O-])c(Cl)c12.COc1cccc2ncc([N+](=O)[O-])c(NCC(C)(C)O)c12
InChIInChI=1S/C18H24N4O3.C18H23N3O4.C18H23N3O3.C14H17N3O4.C14H19N3O2.C10H7ClN2O3.C4H11NO.C4H8O3/c1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-5-25-10-15-19-12-9-21(23)13-7-6-8-14(24-4)16(13)17(12)20(15)11-18(2,3)22;1-5-24-10-15-20-13-9-19-12-7-6-8-14(23-4)16(12)17(13)21(15)11-18(2,3)22;1-14(2,18)8-16-13-10(17(19)20)7-15-9-5-4-6-11(21-3)12(9)13;1-14(2,18)8-17-13-9(15)7-16-10-5-4-6-11(19-3)12(10)13;1-16-8-4-2-3-6-9(8)10(11)7(5-12-6)13(14)15;1-4(2,6)3-5;1-2-7-3-4(5)6/h6-8,23H,5,9-10H2,1-4H3,(H2,19,20);6-9,22H,5,10-11H2,1-4H3;6-9,22H,5,10-11H2,1-4H3;4-7,18H,8H2,1-3H3,(H,15,16);4-7,18H,8,15H2,1-3H3,(H,16,17);2-5H,1H3;6H,3,5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyZNWWPBYYQABPLI-UHFFFAOYSA-N
MW2003.72 g/mol
LogP14.49
Rot. Bonds33

About 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol

1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 162171811) has the molecular formula C100H132ClN19O23 and a molecular weight of 2003.72 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID162171811
Molecular FormulaC100H132ClN19O23
Molecular Weight2003.72 g/mol
Exact Mass2001.94
IUPAC Name1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CN.CCOCC(=O)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c[n+]([O-])c3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2cnc3cccc(OC)c3c2n1CC(C)(C)O.COc1cccc2ncc(N)c(NCC(C)(C)O)c12.COc1cccc2ncc([N+](=O)[O-])c(Cl)c12.COc1cccc2ncc([N+](=O)[O-])c(NCC(C)(C)O)c12
InChIInChI=1S/C18H24N4O3.C18H23N3O4.C18H23N3O3.C14H17N3O4.C14H19N3O2.C10H7ClN2O3.C4H11NO.C4H8O3/c1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-5-25-10-15-19-12-9-21(23)13-7-6-8-14(24-4)16(13)17(12)20(15)11-18(2,3)22;1-5-24-10-15-20-13-9-19-12-7-6-8-14(23-4)16(12)17(13)21(15)11-18(2,3)22;1-14(2,18)8-16-13-10(17(19)20)7-15-9-5-4-6-11(21-3)12(9)13;1-14(2,18)8-17-13-9(15)7-16-10-5-4-6-11(19-3)12(10)13;1-16-8-4-2-3-6-9(8)10(11)7(5-12-6)13(14)15;1-4(2,6)3-5;1-2-7-3-4(5)6/h6-8,23H,5,9-10H2,1-4H3,(H2,19,20);6-9,22H,5,10-11H2,1-4H3;6-9,22H,5,10-11H2,1-4H3;4-7,18H,8H2,1-3H3,(H,15,16);4-7,18H,8,15H2,1-3H3,(H,16,17);2-5H,1H3;6H,3,5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyZNWWPBYYQABPLI-UHFFFAOYSA-N
XLogP14.49
TPSA584.23 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002003.72
LogP ≤ 514.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol (CID 162171811) is 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CN.CCOCC(=O)O.CCOCc1nc2c(N)nc3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2c[n+]([O-])c3cccc(OC)c3c2n1CC(C)(C)O.CCOCc1nc2cnc3cccc(OC)c3c2n1CC(C)(C)O.COc1cccc2ncc(N)c(NCC(C)(C)O)c12.COc1cccc2ncc([N+](=O)[O-])c(Cl)c12.COc1cccc2ncc([N+](=O)[O-])c(NCC(C)(C)O)c12.
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is ZNWWPBYYQABPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C18H23N3O4.C18H23N3O3.C14H17N3O4.C14H19N3O2.C10H7ClN2O3.C4H11NO.C4H8O3/c1-5-25-9-13-21-15-16(22(13)10-18(2,3)23)14-11(20-17(15)19)7-6-8-12(14)24-4;1-5-25-10-15-19-12-9-21(23)13-7-6-8-14(24-4)16(13)17(12)20(15)11-18(2,3)22;1-5-24-10-15-20-13-9-19-12-7-6-8-14(23-4)16(12)17(13)21(15)11-18(2,3)22;1-14(2,18)8-16-13-10(17(19)20)7-15-9-5-4-6-11(21-3)12(9)13;1-14(2,18)8-17-13-9(15)7-16-10-5-4-6-11(19-3)12(10)13;1-16-8-4-2-3-6-9(8)10(11)7(5-12-6)13(14)15;1-4(2,6)3-5;1-2-7-3-4(5)6/h6-8,23H,5,9-10H2,1-4H3,(H2,19,20);6-9,22H,5,10-11H2,1-4H3;6-9,22H,5,10-11H2,1-4H3;4-7,18H,8H2,1-3H3,(H,15,16);4-7,18H,8,15H2,1-3H3,(H,16,17);2-5H,1H3;6H,3,5H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol?
1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 2003.72 g/mol, XLogP of 14.49, 33 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[(3-amino-5-methoxyquinolin-4-yl)amino]-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;4-chloro-5-methoxy-3-nitroquinoline;2-ethoxyacetic acid;1-[2-(ethoxymethyl)-9-methoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[2-(ethoxymethyl)-9-methoxy-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]-2-methylpropan-2-ol;1-[(5-methoxy-3-nitroquinolin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 162171811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).