2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid

C154H179F4N24O29P7 — CID 160830941

IUPAC2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid
SMILESCCCCCNc1nc(N)nc(C)c1Cc1ccc(CP(=O)(O)O)cc1OC.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCP(C)(=O)O.COCCOc1nc(N)c2c(n1)C(Cc1ccc(CP(C)(=O)O)cc1)C(=O)N2.COc1ccc(CCc2cnc3c(N)nc4cc(/C=C/P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(C(=O)C(F)(F)P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(CCP(=O)(O)O)ccc4c3c2)c(C)c1.Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCC(F)(F)P(C)(=O)O)cc3C)cc12
InChIInChI=1S/C27H30F2N3O3P.C24H22F2N3O5P.C24H26N3O4P.C24H24N3O4P.C19H29N4O4P.C18H23N4O5P.C18H25N4O4P/c1-17-5-10-22-23-15-19(16-31-25(23)26(30)32-24(22)13-17)6-7-20-8-9-21(14-18(20)2)35-12-4-11-27(28,29)36(3,33)34;1-13-9-17(34-2)7-5-15(13)4-3-14-10-19-18-8-6-16(22(30)24(25,26)35(31,32)33)11-20(18)29-23(27)21(19)28-12-14;2*1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17;1-4-5-6-9-21-18-16(13(2)22-19(20)23-18)11-15-8-7-14(10-17(15)27-3)12-28(24,25)26;1-26-7-8-27-18-21-14-13(17(23)20-15(14)16(19)22-18)9-11-3-5-12(6-4-11)10-28(2,24)25;1-3-25-12-15-21-16-17(13-6-4-5-7-14(13)20-18(16)19)22(15)8-9-26-10-11-27(2,23)24/h5,8-10,13-16H,4,6-7,11-12H2,1-3H3,(H2,30,32)(H,33,34);5-12H,3-4H2,1-2H3,(H2,27,29)(H2,31,32,33);4,6-8,11-14H,3,5,9-10H2,1-2H3,(H2,25,27)(H2,28,29,30);4,6-14H,3,5H2,1-2H3,(H2,25,27)(H2,28,29,30);7-8,10H,4-6,9,11-12H2,1-3H3,(H2,24,25,26)(H3,20,21,22,23);3-6,13H,7-10H2,1-2H3,(H,20,23)(H,24,25)(H2,19,21,22);4-7H,3,8-12H2,1-2H3,(H2,19,20)(H,23,24)/b;;;10-9+;;;
InChIKeySGUCTMULZJNKSF-XVEJOVFOSA-N
MW3123.07 g/mol
LogP27.27
Rot. Bonds56

About 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid

2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid (PubChem CID 160830941) has the molecular formula C154H179F4N24O29P7 and a molecular weight of 3123.07 g/mol. Its IUPAC name is 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid.

Molecular Properties

Compound Name2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid
PubChem CID160830941
Molecular FormulaC154H179F4N24O29P7
Molecular Weight3123.07 g/mol
Exact Mass3121.14
IUPAC Name2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid
SMILESCCCCCNc1nc(N)nc(C)c1Cc1ccc(CP(=O)(O)O)cc1OC.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCP(C)(=O)O.COCCOc1nc(N)c2c(n1)C(Cc1ccc(CP(C)(=O)O)cc1)C(=O)N2.COc1ccc(CCc2cnc3c(N)nc4cc(/C=C/P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(C(=O)C(F)(F)P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(CCP(=O)(O)O)ccc4c3c2)c(C)c1.Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCC(F)(F)P(C)(=O)O)cc3C)cc12
InChIInChI=1S/C27H30F2N3O3P.C24H22F2N3O5P.C24H26N3O4P.C24H24N3O4P.C19H29N4O4P.C18H23N4O5P.C18H25N4O4P/c1-17-5-10-22-23-15-19(16-31-25(23)26(30)32-24(22)13-17)6-7-20-8-9-21(14-18(20)2)35-12-4-11-27(28,29)36(3,33)34;1-13-9-17(34-2)7-5-15(13)4-3-14-10-19-18-8-6-16(22(30)24(25,26)35(31,32)33)11-20(18)29-23(27)21(19)28-12-14;2*1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17;1-4-5-6-9-21-18-16(13(2)22-19(20)23-18)11-15-8-7-14(10-17(15)27-3)12-28(24,25)26;1-26-7-8-27-18-21-14-13(17(23)20-15(14)16(19)22-18)9-11-3-5-12(6-4-11)10-28(2,24)25;1-3-25-12-15-21-16-17(13-6-4-5-7-14(13)20-18(16)19)22(15)8-9-26-10-11-27(2,23)24/h5,8-10,13-16H,4,6-7,11-12H2,1-3H3,(H2,30,32)(H,33,34);5-12H,3-4H2,1-2H3,(H2,27,29)(H2,31,32,33);4,6-8,11-14H,3,5,9-10H2,1-2H3,(H2,25,27)(H2,28,29,30);4,6-14H,3,5H2,1-2H3,(H2,25,27)(H2,28,29,30);7-8,10H,4-6,9,11-12H2,1-3H3,(H2,24,25,26)(H3,20,21,22,23);3-6,13H,7-10H2,1-2H3,(H,20,23)(H,24,25)(H2,19,21,22);4-7H,3,8-12H2,1-2H3,(H2,19,20)(H,23,24)/b;;;10-9+;;;
InChIKeySGUCTMULZJNKSF-XVEJOVFOSA-N
XLogP27.27
TPSA850.82 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds56
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.07
LogP ≤ 527.27
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid?
The IUPAC name of 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid (CID 160830941) is 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid.
What is the SMILES notation for 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid?
The canonical SMILES for 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid is CCCCCNc1nc(N)nc(C)c1Cc1ccc(CP(=O)(O)O)cc1OC.CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCP(C)(=O)O.COCCOc1nc(N)c2c(n1)C(Cc1ccc(CP(C)(=O)O)cc1)C(=O)N2.COc1ccc(CCc2cnc3c(N)nc4cc(/C=C/P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(C(=O)C(F)(F)P(=O)(O)O)ccc4c3c2)c(C)c1.COc1ccc(CCc2cnc3c(N)nc4cc(CCP(=O)(O)O)ccc4c3c2)c(C)c1.Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCC(F)(F)P(C)(=O)O)cc3C)cc12.
What is the InChIKey of 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid?
The InChIKey is SGUCTMULZJNKSF-XVEJOVFOSA-N. The full InChI is InChI=1S/C27H30F2N3O3P.C24H22F2N3O5P.C24H26N3O4P.C24H24N3O4P.C19H29N4O4P.C18H23N4O5P.C18H25N4O4P/c1-17-5-10-22-23-15-19(16-31-25(23)26(30)32-24(22)13-17)6-7-20-8-9-21(14-18(20)2)35-12-4-11-27(28,29)36(3,33)34;1-13-9-17(34-2)7-5-15(13)4-3-14-10-19-18-8-6-16(22(30)24(25,26)35(31,32)33)11-20(18)29-23(27)21(19)28-12-14;2*1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17;1-4-5-6-9-21-18-16(13(2)22-19(20)23-18)11-15-8-7-14(10-17(15)27-3)12-28(24,25)26;1-26-7-8-27-18-21-14-13(17(23)20-15(14)16(19)22-18)9-11-3-5-12(6-4-11)10-28(2,24)25;1-3-25-12-15-21-16-17(13-6-4-5-7-14(13)20-18(16)19)22(15)8-9-26-10-11-27(2,23)24/h5,8-10,13-16H,4,6-7,11-12H2,1-3H3,(H2,30,32)(H,33,34);5-12H,3-4H2,1-2H3,(H2,27,29)(H2,31,32,33);4,6-8,11-14H,3,5,9-10H2,1-2H3,(H2,25,27)(H2,28,29,30);4,6-14H,3,5H2,1-2H3,(H2,25,27)(H2,28,29,30);7-8,10H,4-6,9,11-12H2,1-3H3,(H2,24,25,26)(H3,20,21,22,23);3-6,13H,7-10H2,1-2H3,(H,20,23)(H,24,25)(H2,19,21,22);4-7H,3,8-12H2,1-2H3,(H2,19,20)(H,23,24)/b;;;10-9+;;;.
What are the key properties of 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid?
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid has a molecular weight of 3123.07 g/mol, XLogP of 27.27, 56 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl-methylphosphinic acid;[4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]methyl-methylphosphinic acid;[2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-1,1-difluoro-2-oxoethyl]phosphonic acid;[(E)-2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethenyl]phosphonic acid;2-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]ethylphosphonic acid;[4-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]-1,1-difluorobutyl]-methylphosphinic acid;[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-3-methoxyphenyl]methylphosphonic acid is sourced from PubChem (CID 160830941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).