1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium

C308H349N26O30+21 — CID 157114962

IUPAC1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium
SMILESCC(C)(C)CO[n+]1cccc(C(=O)c2ccccc2)c1.CC(C)O[n+]1c(-c2ccccc2)oc2ccccc21.CCC(C)O[n+]1ccc2ccccc2c1.CCCC(C)On1ccc[n+]1-c1ccccc1.CCCC(CC)CO[n+]1c2ccccc2cc2ccccc21.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCC(CC)CO[n+]1ccc(OCC(=O)OC)cc1.CCCCCCO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCCCO[n+]1ccc2c(ccc3ccccc32)c1.CCCO[N+]1=Cc2ccccc2C1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.CCCO[n+]1ccc(Oc2ccccc2)cc1.CO[n+]1c(C(C)=O)cc(-c2ccccc2)cc1C(=O)c1ccccc1.CO[n+]1cc[n+](OCCc2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1Oc1ccccc1.Cc1cc[n+](OCCc2ccccc2)cn1.Cc1cncc[n+]1OCc1ccccc1.c1ccc2c(c1)ccc[n+]2OCCCCO[n+]1ccnc2ccccc21.c1ccc2c(c1)o[n+]1ccccc21
InChIInChI=1S/C25H30NO.C23H26NO.C21H21N3O2.C21H18NO3.C20H24NO.C19H22NO.C17H20NO2.C16H26NO4.C16H16NO2.C15H16NO2.C14H12N2O.C14H19N2O.C14H16NO2.C13H16N2O2.C13H15N2O.C13H16NO.C12H13N2O.C11H8NO.C11H14NO/c1-3-5-12-21(4-2)20-27-26-18-17-24(22-13-8-6-9-14-22)19-25(26)23-15-10-7-11-16-23;1-2-3-4-11-18-25-24-17-16-22(20-12-7-5-8-13-20)19-23(24)21-14-9-6-10-15-21;1-3-11-20-18(8-1)9-7-14-23(20)25-16-5-6-17-26-24-15-13-22-19-10-2-4-12-21(19)24;1-15(23)19-13-18(16-9-5-3-6-10-16)14-20(22(19)25-2)21(24)17-11-7-4-8-12-17;1-3-9-16(4-2)15-22-21-19-12-7-5-10-17(19)14-18-11-6-8-13-20(18)21;1-2-3-4-7-14-21-20-13-12-19-17(15-20)11-10-16-8-5-6-9-18(16)19;1-17(2,3)13-20-18-11-7-10-15(12-18)16(19)14-8-5-4-6-9-14;1-4-6-7-14(5-2)12-21-17-10-8-15(9-11-17)20-13-16(18)19-3;1-12(2)19-17-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-11-15-13-9-5-6-10-14(13)16(11)17-12-7-3-2-4-8-12;1-3-8-13(2)17-16-12-7-11-15(16)14-9-5-4-6-10-14;1-2-12-16-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13;1-16-14-8-10-15(11-9-14)17-12-7-13-5-3-2-4-6-13;1-12-7-9-15(11-14-12)16-10-8-13-5-3-2-4-6-13;1-3-11(2)15-14-9-8-12-6-4-5-7-13(12)10-14;1-11-9-13-7-8-14(11)15-10-12-5-3-2-4-6-12;1-2-7-11-9(5-1)10-6-3-4-8-12(10)13-11;1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h6-11,13-19,21H,3-5,12,20H2,1-2H3;5-10,12-17,19H,2-4,11,18H2,1H3;1-4,7-15H,5-6,16-17H2;3-14H,1-2H3;5-8,10-14,16H,3-4,9,15H2,1-2H3;5-6,8-13,15H,2-4,7,14H2,1H3;4-12H,13H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;3-12H,1-2H3;3-11H,2,12H2,1H3;2-10H,1H3;4-7,9-13H,3,8H2,1-2H3;3-11H,2,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9,11H,8,10H2,1H3;4-11H,3H2,1-2H3;2-9H,10H2,1H3;1-8H;3-6,8H,2,7,9H2,1H3/q2*+1;+2;7*+1;;2*+1;+2;5*+1/p+1
InChIKeyAHHDFQCWJAWUFN-UHFFFAOYSA-O
MW4895.33 g/mol
LogP52.39
Rot. Bonds93

About 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium

1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium (PubChem CID 157114962) has the molecular formula C308H349N26O30+21 and a molecular weight of 4895.33 g/mol. Its IUPAC name is 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium.

Molecular Properties

Compound Name1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium
PubChem CID157114962
Molecular FormulaC308H349N26O30+21
Molecular Weight4895.33 g/mol
Exact Mass4891.65
IUPAC Name1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium
SMILESCC(C)(C)CO[n+]1cccc(C(=O)c2ccccc2)c1.CC(C)O[n+]1c(-c2ccccc2)oc2ccccc21.CCC(C)O[n+]1ccc2ccccc2c1.CCCC(C)On1ccc[n+]1-c1ccccc1.CCCC(CC)CO[n+]1c2ccccc2cc2ccccc21.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCC(CC)CO[n+]1ccc(OCC(=O)OC)cc1.CCCCCCO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCCCO[n+]1ccc2c(ccc3ccccc32)c1.CCCO[N+]1=Cc2ccccc2C1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.CCCO[n+]1ccc(Oc2ccccc2)cc1.CO[n+]1c(C(C)=O)cc(-c2ccccc2)cc1C(=O)c1ccccc1.CO[n+]1cc[n+](OCCc2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1Oc1ccccc1.Cc1cc[n+](OCCc2ccccc2)cn1.Cc1cncc[n+]1OCc1ccccc1.c1ccc2c(c1)ccc[n+]2OCCCCO[n+]1ccnc2ccccc21.c1ccc2c(c1)o[n+]1ccccc21
InChIInChI=1S/C25H30NO.C23H26NO.C21H21N3O2.C21H18NO3.C20H24NO.C19H22NO.C17H20NO2.C16H26NO4.C16H16NO2.C15H16NO2.C14H12N2O.C14H19N2O.C14H16NO2.C13H16N2O2.C13H15N2O.C13H16NO.C12H13N2O.C11H8NO.C11H14NO/c1-3-5-12-21(4-2)20-27-26-18-17-24(22-13-8-6-9-14-22)19-25(26)23-15-10-7-11-16-23;1-2-3-4-11-18-25-24-17-16-22(20-12-7-5-8-13-20)19-23(24)21-14-9-6-10-15-21;1-3-11-20-18(8-1)9-7-14-23(20)25-16-5-6-17-26-24-15-13-22-19-10-2-4-12-21(19)24;1-15(23)19-13-18(16-9-5-3-6-10-16)14-20(22(19)25-2)21(24)17-11-7-4-8-12-17;1-3-9-16(4-2)15-22-21-19-12-7-5-10-17(19)14-18-11-6-8-13-20(18)21;1-2-3-4-7-14-21-20-13-12-19-17(15-20)11-10-16-8-5-6-9-18(16)19;1-17(2,3)13-20-18-11-7-10-15(12-18)16(19)14-8-5-4-6-9-14;1-4-6-7-14(5-2)12-21-17-10-8-15(9-11-17)20-13-16(18)19-3;1-12(2)19-17-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-11-15-13-9-5-6-10-14(13)16(11)17-12-7-3-2-4-8-12;1-3-8-13(2)17-16-12-7-11-15(16)14-9-5-4-6-10-14;1-2-12-16-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13;1-16-14-8-10-15(11-9-14)17-12-7-13-5-3-2-4-6-13;1-12-7-9-15(11-14-12)16-10-8-13-5-3-2-4-6-13;1-3-11(2)15-14-9-8-12-6-4-5-7-13(12)10-14;1-11-9-13-7-8-14(11)15-10-12-5-3-2-4-6-12;1-2-7-11-9(5-1)10-6-3-4-8-12(10)13-11;1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h6-11,13-19,21H,3-5,12,20H2,1-2H3;5-10,12-17,19H,2-4,11,18H2,1H3;1-4,7-15H,5-6,16-17H2;3-14H,1-2H3;5-8,10-14,16H,3-4,9,15H2,1-2H3;5-6,8-13,15H,2-4,7,14H2,1H3;4-12H,13H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;3-12H,1-2H3;3-11H,2,12H2,1H3;2-10H,1H3;4-7,9-13H,3,8H2,1-2H3;3-11H,2,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9,11H,8,10H2,1H3;4-11H,3H2,1-2H3;2-9H,10H2,1H3;1-8H;3-6,8H,2,7,9H2,1H3/q2*+1;+2;7*+1;;2*+1;+2;5*+1/p+1
InChIKeyAHHDFQCWJAWUFN-UHFFFAOYSA-O
XLogP52.39
TPSA464.14 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds93
Heavy Atoms364
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004895.33
LogP ≤ 552.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
CID 165088553
CID 165088553
2-[2-(1H-benzimidazol-2-yl)-6-(1,2-benzoxazol-3-yl)-3-indazol-1-ylphenyl]-1,3-benzoxazole
CID 140978005
6-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
CID 157104031
1,3-benzodioxole;1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;hexadecakis(2-methylpropane);1-phenylimidazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyrimidine;2-phenyltriazole;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157152490
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157215754
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157277947
1H-benzimidazole;1-benzofuran;2-benzofuran;2H-1,3-benzoxazine;2H-1,4-benzoxazine;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;2H-chromene;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1H-indazole;1H-indole;3H-indole;1H-isochromene;2H-isoindole;isoquinoline;quinazoline;quinoline;quinoxaline
CID 157286707
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-4-pyridinyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 157380444
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 157558154
1H-benzimidazole;1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;1H-indazole;1H-indole;isoquinoline;quinazoline;quinoline
CID 157625689
1,3-benzoxazole;cinnoline;2,3-dihydro-1H-indole;5,6-dihydro-4H-pyrano[3,2-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazole;6,7-dihydro-5H-pyrano[2,3-d][1,3]oxazole;6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole;imidazo[1,5-a]pyrazine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);bis(1H-imidazo[4,5-b]pyridine);bis(3H-imidazo[4,5-c]pyridine);imidazo[1,5-c]pyrimidine;phthalazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;quinazoline;2,3,4,5-tetrahydropyrano[2,3-b]pyrrole;2,3,4,5-tetrahydropyrano[2,3-c]pyrrole;1,4,5,6-tetrahydropyrano[3,2-d]pyrazole
CID 157801747

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium?
The IUPAC name of 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium (CID 157114962) is 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium.
What is the SMILES notation for 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium?
The canonical SMILES for 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium is CC(C)(C)CO[n+]1cccc(C(=O)c2ccccc2)c1.CC(C)O[n+]1c(-c2ccccc2)oc2ccccc21.CCC(C)O[n+]1ccc2ccccc2c1.CCCC(C)On1ccc[n+]1-c1ccccc1.CCCC(CC)CO[n+]1c2ccccc2cc2ccccc21.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCC(CC)CO[n+]1ccc(OCC(=O)OC)cc1.CCCCCCO[n+]1ccc(-c2ccccc2)cc1-c1ccccc1.CCCCCCO[n+]1ccc2c(ccc3ccccc32)c1.CCCO[N+]1=Cc2ccccc2C1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.CCCO[n+]1ccc(Oc2ccccc2)cc1.CO[n+]1c(C(C)=O)cc(-c2ccccc2)cc1C(=O)c1ccccc1.CO[n+]1cc[n+](OCCc2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1Oc1ccccc1.Cc1cc[n+](OCCc2ccccc2)cn1.Cc1cncc[n+]1OCc1ccccc1.c1ccc2c(c1)ccc[n+]2OCCCCO[n+]1ccnc2ccccc21.c1ccc2c(c1)o[n+]1ccccc21.
What is the InChIKey of 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium?
The InChIKey is AHHDFQCWJAWUFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30NO.C23H26NO.C21H21N3O2.C21H18NO3.C20H24NO.C19H22NO.C17H20NO2.C16H26NO4.C16H16NO2.C15H16NO2.C14H12N2O.C14H19N2O.C14H16NO2.C13H16N2O2.C13H15N2O.C13H16NO.C12H13N2O.C11H8NO.C11H14NO/c1-3-5-12-21(4-2)20-27-26-18-17-24(22-13-8-6-9-14-22)19-25(26)23-15-10-7-11-16-23;1-2-3-4-11-18-25-24-17-16-22(20-12-7-5-8-13-20)19-23(24)21-14-9-6-10-15-21;1-3-11-20-18(8-1)9-7-14-23(20)25-16-5-6-17-26-24-15-13-22-19-10-2-4-12-21(19)24;1-15(23)19-13-18(16-9-5-3-6-10-16)14-20(22(19)25-2)21(24)17-11-7-4-8-12-17;1-3-9-16(4-2)15-22-21-19-12-7-5-10-17(19)14-18-11-6-8-13-20(18)21;1-2-3-4-7-14-21-20-13-12-19-17(15-20)11-10-16-8-5-6-9-18(16)19;1-17(2,3)13-20-18-11-7-10-15(12-18)16(19)14-8-5-4-6-9-14;1-4-6-7-14(5-2)12-21-17-10-8-15(9-11-17)20-13-16(18)19-3;1-12(2)19-17-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-11-15-13-9-5-6-10-14(13)16(11)17-12-7-3-2-4-8-12;1-3-8-13(2)17-16-12-7-11-15(16)14-9-5-4-6-10-14;1-2-12-16-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13;1-16-14-8-10-15(11-9-14)17-12-7-13-5-3-2-4-6-13;1-12-7-9-15(11-14-12)16-10-8-13-5-3-2-4-6-13;1-3-11(2)15-14-9-8-12-6-4-5-7-13(12)10-14;1-11-9-13-7-8-14(11)15-10-12-5-3-2-4-6-12;1-2-7-11-9(5-1)10-6-3-4-8-12(10)13-11;1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h6-11,13-19,21H,3-5,12,20H2,1-2H3;5-10,12-17,19H,2-4,11,18H2,1H3;1-4,7-15H,5-6,16-17H2;3-14H,1-2H3;5-8,10-14,16H,3-4,9,15H2,1-2H3;5-6,8-13,15H,2-4,7,14H2,1H3;4-12H,13H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;3-12H,1-2H3;3-11H,2,12H2,1H3;2-10H,1H3;4-7,9-13H,3,8H2,1-2H3;3-11H,2,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9,11H,8,10H2,1H3;4-11H,3H2,1-2H3;2-9H,10H2,1H3;1-8H;3-6,8H,2,7,9H2,1H3/q2*+1;+2;7*+1;;2*+1;+2;5*+1/p+1.
What are the key properties of 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium?
1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium has a molecular weight of 4895.33 g/mol, XLogP of 52.39, 93 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzoyl-1-methoxy-4-phenylpyridin-1-ium-2-yl)ethanone;2-butan-2-yloxyisoquinolin-2-ium;[1-(2,2-dimethylpropoxy)pyridin-1-ium-3-yl]-phenylmethanone;1-(2-ethylhexoxy)-2,4-diphenylpyridin-1-ium;10-(2-ethylpentoxy)acridin-10-ium;3-hexoxybenzo[f]isoquinolin-3-ium;1-hexoxy-2,4-diphenylpyridin-1-ium;1-methoxy-4-(2-phenylethoxy)pyrazine-1,4-diium;methyl 2-[1-(2-ethylhexoxy)pyridin-1-ium-4-yl]oxyacetate;2-methyl-3-phenoxy-1H-benzimidazol-3-ium;4-methyl-1-(2-phenylethoxy)pyrimidin-1-ium;2-methyl-1-phenylmethoxypyrazin-1-ium;1-pentan-2-yloxy-2-phenylpyrazol-2-ium;4-phenoxy-1-propoxypyridin-1-ium;2-phenyl-3-propan-2-yloxy-1,3-benzoxazol-3-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;2-propoxy-1H-isoindol-2-ium;pyrido[1,2-b][1,2]benzoxazol-6-ium;1-(4-quinolin-1-ium-1-yloxybutoxy)quinoxalin-1-ium is sourced from PubChem (CID 157114962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).