2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid

C186H247F8N43O41P10 — CID 161091663

IUPAC2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid
SMILESCC(C)(O)Cn1c(COCCCC(F)(F)P(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(COCCCP(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(NCCOCCCC(F)(F)P(C)(=O)O)nc2c(N)nc3ccccc3c21.CC(C)Cn1cnc2c(N)nc3cc(C(=O)CCP(=O)(O)O)ccc3c21.CCOCc1nc2c(N)nc3cc(CCC(F)(F)P(=O)(O)O)ccc3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCOCCC(F)(F)P(C)(=O)O.CNc1nc2c(N)nc3cc(OCCOCCP(=O)(O)O)ccc3c2n1CC(C)(C)C.CNc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.Nc1nc2ccccc2c2c1ncn2Cc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C21H30F2N5O4P.C21H29F2N4O5P.C20H27F2N4O5P.C20H30N5O5P.C19H25F2N4O5P.C18H25N4O5P.C18H17N4O3P.C17H21N4O4P.C17H23N4O3P.C15H20N5O2P/c1-20(2,29)13-28-17-14-7-4-5-8-15(14)26-18(24)16(17)27-19(28)25-10-12-32-11-6-9-21(22,23)33(3,30)31;1-3-30-14-17-26-18-19(15-6-4-5-7-16(15)25-20(18)24)27(17)9-11-32-13-12-31-10-8-21(22,23)33(2,28)29;1-4-31-10-15-25-16-17(26(15)11-19(2,3)27)13-6-5-12(9-14(13)24-18(16)23)7-8-20(21,22)32(28,29)30;1-20(2,3)12-25-17-14-6-5-13(30-8-7-29-9-10-31(26,27)28)11-15(14)23-18(21)16(17)24-19(25)22-4;1-18(2,26)11-25-14(10-30-9-5-8-19(20,21)31(27,28)29)24-15-16(25)12-6-3-4-7-13(12)23-17(15)22;1-18(2,23)11-22-14(10-27-8-5-9-28(24,25)26)21-15-16(22)12-6-3-4-7-13(12)20-17(15)19;19-18-16-17(14-3-1-2-4-15(14)21-18)22(11-20-16)9-12-5-7-13(8-6-12)10-26(23,24)25;1-10(2)8-21-9-19-15-16(21)12-4-3-11(7-13(12)20-17(15)18)14(22)5-6-26(23,24)25;1-3-24-11-14-20-15-16(21(14)9-6-10-25(2,22)23)12-7-4-5-8-13(12)19-17(15)18;1-17-15-19-12-13(20(15)8-5-9-23(2,21)22)10-6-3-4-7-11(10)18-14(12)16/h4-5,7-8,29H,6,9-13H2,1-3H3,(H2,24,26)(H,25,27)(H,30,31);4-7H,3,8-14H2,1-2H3,(H2,24,25)(H,28,29);5-6,9,27H,4,7-8,10-11H2,1-3H3,(H2,23,24)(H2,28,29,30);5-6,11H,7-10,12H2,1-4H3,(H2,21,23)(H,22,24)(H2,26,27,28);3-4,6-7,26H,5,8-11H2,1-2H3,(H2,22,23)(H2,27,28,29);3-4,6-7,23H,5,8-11H2,1-2H3,(H2,19,20)(H2,24,25,26);1-8,11H,9-10H2,(H2,19,21)(H2,23,24,25);3-4,7,9-10H,5-6,8H2,1-2H3,(H2,18,20)(H2,23,24,25);4-5,7-8H,3,6,9-11H2,1-2H3,(H2,18,19)(H,22,23);3-4,6-7H,5,8-9H2,1-2H3,(H2,16,18)(H,17,19)(H,21,22)
InChIKeyUHGJDRLBZGVRCO-UHFFFAOYSA-N
MW4203.01 g/mol
LogP29.25
Rot. Bonds81

About 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid

2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid (PubChem CID 161091663) has the molecular formula C186H247F8N43O41P10 and a molecular weight of 4203.01 g/mol. Its IUPAC name is 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid.

Molecular Properties

Compound Name2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid
PubChem CID161091663
Molecular FormulaC186H247F8N43O41P10
Molecular Weight4203.01 g/mol
Exact Mass4200.58
IUPAC Name2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid
SMILESCC(C)(O)Cn1c(COCCCC(F)(F)P(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(COCCCP(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(NCCOCCCC(F)(F)P(C)(=O)O)nc2c(N)nc3ccccc3c21.CC(C)Cn1cnc2c(N)nc3cc(C(=O)CCP(=O)(O)O)ccc3c21.CCOCc1nc2c(N)nc3cc(CCC(F)(F)P(=O)(O)O)ccc3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCOCCC(F)(F)P(C)(=O)O.CNc1nc2c(N)nc3cc(OCCOCCP(=O)(O)O)ccc3c2n1CC(C)(C)C.CNc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.Nc1nc2ccccc2c2c1ncn2Cc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C21H30F2N5O4P.C21H29F2N4O5P.C20H27F2N4O5P.C20H30N5O5P.C19H25F2N4O5P.C18H25N4O5P.C18H17N4O3P.C17H21N4O4P.C17H23N4O3P.C15H20N5O2P/c1-20(2,29)13-28-17-14-7-4-5-8-15(14)26-18(24)16(17)27-19(28)25-10-12-32-11-6-9-21(22,23)33(3,30)31;1-3-30-14-17-26-18-19(15-6-4-5-7-16(15)25-20(18)24)27(17)9-11-32-13-12-31-10-8-21(22,23)33(2,28)29;1-4-31-10-15-25-16-17(26(15)11-19(2,3)27)13-6-5-12(9-14(13)24-18(16)23)7-8-20(21,22)32(28,29)30;1-20(2,3)12-25-17-14-6-5-13(30-8-7-29-9-10-31(26,27)28)11-15(14)23-18(21)16(17)24-19(25)22-4;1-18(2,26)11-25-14(10-30-9-5-8-19(20,21)31(27,28)29)24-15-16(25)12-6-3-4-7-13(12)23-17(15)22;1-18(2,23)11-22-14(10-27-8-5-9-28(24,25)26)21-15-16(22)12-6-3-4-7-13(12)20-17(15)19;19-18-16-17(14-3-1-2-4-15(14)21-18)22(11-20-16)9-12-5-7-13(8-6-12)10-26(23,24)25;1-10(2)8-21-9-19-15-16(21)12-4-3-11(7-13(12)20-17(15)18)14(22)5-6-26(23,24)25;1-3-24-11-14-20-15-16(21(14)9-6-10-25(2,22)23)12-7-4-5-8-13(12)19-17(15)18;1-17-15-19-12-13(20(15)8-5-9-23(2,21)22)10-6-3-4-7-11(10)18-14(12)16/h4-5,7-8,29H,6,9-13H2,1-3H3,(H2,24,26)(H,25,27)(H,30,31);4-7H,3,8-14H2,1-2H3,(H2,24,25)(H,28,29);5-6,9,27H,4,7-8,10-11H2,1-3H3,(H2,23,24)(H2,28,29,30);5-6,11H,7-10,12H2,1-4H3,(H2,21,23)(H,22,24)(H2,26,27,28);3-4,6-7,26H,5,8-11H2,1-2H3,(H2,22,23)(H2,27,28,29);3-4,6-7,23H,5,8-11H2,1-2H3,(H2,19,20)(H2,24,25,26);1-8,11H,9-10H2,(H2,19,21)(H2,23,24,25);3-4,7,9-10H,5-6,8H2,1-2H3,(H2,18,20)(H2,23,24,25);4-5,7-8H,3,6,9-11H2,1-2H3,(H2,18,19)(H,22,23);3-4,6-7H,5,8-9H2,1-2H3,(H2,16,18)(H,17,19)(H,21,22)
InChIKeyUHGJDRLBZGVRCO-UHFFFAOYSA-N
XLogP29.25
TPSA1288.06 Ų
H-Bond Donors33
H-Bond Acceptors68
Rotatable Bonds81
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004203.01
LogP ≤ 529.25
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid?
The IUPAC name of 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid (CID 161091663) is 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid.
What is the SMILES notation for 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid?
The canonical SMILES for 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid is CC(C)(O)Cn1c(COCCCC(F)(F)P(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(COCCCP(=O)(O)O)nc2c(N)nc3ccccc3c21.CC(C)(O)Cn1c(NCCOCCCC(F)(F)P(C)(=O)O)nc2c(N)nc3ccccc3c21.CC(C)Cn1cnc2c(N)nc3cc(C(=O)CCP(=O)(O)O)ccc3c21.CCOCc1nc2c(N)nc3cc(CCC(F)(F)P(=O)(O)O)ccc3c2n1CC(C)(C)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCOCCC(F)(F)P(C)(=O)O.CNc1nc2c(N)nc3cc(OCCOCCP(=O)(O)O)ccc3c2n1CC(C)(C)C.CNc1nc2c(N)nc3ccccc3c2n1CCCP(C)(=O)O.Nc1nc2ccccc2c2c1ncn2Cc1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid?
The InChIKey is UHGJDRLBZGVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N5O4P.C21H29F2N4O5P.C20H27F2N4O5P.C20H30N5O5P.C19H25F2N4O5P.C18H25N4O5P.C18H17N4O3P.C17H21N4O4P.C17H23N4O3P.C15H20N5O2P/c1-20(2,29)13-28-17-14-7-4-5-8-15(14)26-18(24)16(17)27-19(28)25-10-12-32-11-6-9-21(22,23)33(3,30)31;1-3-30-14-17-26-18-19(15-6-4-5-7-16(15)25-20(18)24)27(17)9-11-32-13-12-31-10-8-21(22,23)33(2,28)29;1-4-31-10-15-25-16-17(26(15)11-19(2,3)27)13-6-5-12(9-14(13)24-18(16)23)7-8-20(21,22)32(28,29)30;1-20(2,3)12-25-17-14-6-5-13(30-8-7-29-9-10-31(26,27)28)11-15(14)23-18(21)16(17)24-19(25)22-4;1-18(2,26)11-25-14(10-30-9-5-8-19(20,21)31(27,28)29)24-15-16(25)12-6-3-4-7-13(12)23-17(15)22;1-18(2,23)11-22-14(10-27-8-5-9-28(24,25)26)21-15-16(22)12-6-3-4-7-13(12)20-17(15)19;19-18-16-17(14-3-1-2-4-15(14)21-18)22(11-20-16)9-12-5-7-13(8-6-12)10-26(23,24)25;1-10(2)8-21-9-19-15-16(21)12-4-3-11(7-13(12)20-17(15)18)14(22)5-6-26(23,24)25;1-3-24-11-14-20-15-16(21(14)9-6-10-25(2,22)23)12-7-4-5-8-13(12)19-17(15)18;1-17-15-19-12-13(20(15)8-5-9-23(2,21)22)10-6-3-4-7-11(10)18-14(12)16/h4-5,7-8,29H,6,9-13H2,1-3H3,(H2,24,26)(H,25,27)(H,30,31);4-7H,3,8-14H2,1-2H3,(H2,24,25)(H,28,29);5-6,9,27H,4,7-8,10-11H2,1-3H3,(H2,23,24)(H2,28,29,30);5-6,11H,7-10,12H2,1-4H3,(H2,21,23)(H,22,24)(H2,26,27,28);3-4,6-7,26H,5,8-11H2,1-2H3,(H2,22,23)(H2,27,28,29);3-4,6-7,23H,5,8-11H2,1-2H3,(H2,19,20)(H2,24,25,26);1-8,11H,9-10H2,(H2,19,21)(H2,23,24,25);3-4,7,9-10H,5-6,8H2,1-2H3,(H2,18,20)(H2,23,24,25);4-5,7-8H,3,6,9-11H2,1-2H3,(H2,18,19)(H,22,23);3-4,6-7H,5,8-9H2,1-2H3,(H2,16,18)(H,17,19)(H,21,22).
What are the key properties of 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid?
2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid has a molecular weight of 4203.01 g/mol, XLogP of 29.25, 81 rotatable bonds, 33 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-amino-1-(2,2-dimethylpropyl)-2-(methylamino)imidazo[4,5-c]quinolin-7-yl]oxyethoxy]ethylphosphonic acid;[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-1,1-difluoropropyl]phosphonic acid;[3-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethoxy]-1,1-difluoropropyl]-methylphosphinic acid;3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-1,1-difluorobutyl]phosphonic acid;3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]propylphosphonic acid;[4-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylphosphonic acid;3-[4-amino-2-(methylamino)imidazo[4,5-c]quinolin-1-yl]propyl-methylphosphinic acid;[3-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]-3-oxopropyl]phosphonic acid is sourced from PubChem (CID 161091663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).