methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate

C117H128N11O17+ — CID 159375118

IUPACmethyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate
SMILESCCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1(C)C.CCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1c1ccc(C(=O)OC)cc1.CCC(=O)N1C(c2ccccc2)c2[nH]c3ccccc3c2C[C@H]1C(=O)OC.CCC(=O)N1C2(C(=O)OC)CCCC1(c1ccncc1)c1[nH]c3ccccc3c1C2.CCC(=O)[N+]12CC3=C(C[C@@]1(C(=O)OC)CC(C)C(NC)C2c1ccccc1)c1ccccc1C3
InChIInChI=1S/C29H35N2O3.C24H25N3O3.C24H24N2O5.C22H22N2O3.C18H22N2O3/c1-5-25(32)31-18-22-15-21-13-9-10-14-23(21)24(22)17-29(31,28(33)34-4)16-19(2)26(30-3)27(31)20-11-7-6-8-12-20;1-3-20(28)27-23(22(29)30-2)11-6-12-24(27,16-9-13-25-14-10-16)21-18(15-23)17-7-4-5-8-19(17)26-21;1-4-20(27)26-19(24(29)31-3)13-17-16-7-5-6-8-18(16)25-21(17)22(26)14-9-11-15(12-10-14)23(28)30-2;1-3-19(25)24-18(22(26)27-2)13-16-15-11-7-8-12-17(15)23-20(16)21(24)14-9-5-4-6-10-14;1-5-15(21)20-14(17(22)23-4)10-12-11-8-6-7-9-13(11)19-16(12)18(20,2)3/h6-14,19,26-27,30H,5,15-18H2,1-4H3;4-5,7-10,13-14,26H,3,6,11-12,15H2,1-2H3;5-12,19,22,25H,4,13H2,1-3H3;4-12,18,21,23H,3,13H2,1-2H3;6-9,14,19H,5,10H2,1-4H3/q+1;;;;/t19?,26?,27?,29-,31?;;;18-,21?;/m1..0./s1
InChIKeyIQHFXDRYIJQQSZ-GMIZPTDGSA-N
MW1960.37 g/mol
LogP17.84
Rot. Bonds16

About methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate

methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate (PubChem CID 159375118) has the molecular formula C117H128N11O17+ and a molecular weight of 1960.37 g/mol. Its IUPAC name is methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate.

Molecular Properties

Compound Namemethyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate
PubChem CID159375118
Molecular FormulaC117H128N11O17+
Molecular Weight1960.37 g/mol
Exact Mass1958.95
IUPAC Namemethyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate
SMILESCCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1(C)C.CCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1c1ccc(C(=O)OC)cc1.CCC(=O)N1C(c2ccccc2)c2[nH]c3ccccc3c2C[C@H]1C(=O)OC.CCC(=O)N1C2(C(=O)OC)CCCC1(c1ccncc1)c1[nH]c3ccccc3c1C2.CCC(=O)[N+]12CC3=C(C[C@@]1(C(=O)OC)CC(C)C(NC)C2c1ccccc1)c1ccccc1C3
InChIInChI=1S/C29H35N2O3.C24H25N3O3.C24H24N2O5.C22H22N2O3.C18H22N2O3/c1-5-25(32)31-18-22-15-21-13-9-10-14-23(21)24(22)17-29(31,28(33)34-4)16-19(2)26(30-3)27(31)20-11-7-6-8-12-20;1-3-20(28)27-23(22(29)30-2)11-6-12-24(27,16-9-13-25-14-10-16)21-18(15-23)17-7-4-5-8-19(17)26-21;1-4-20(27)26-19(24(29)31-3)13-17-16-7-5-6-8-18(16)25-21(17)22(26)14-9-11-15(12-10-14)23(28)30-2;1-3-19(25)24-18(22(26)27-2)13-16-15-11-7-8-12-17(15)23-20(16)21(24)14-9-5-4-6-10-14;1-5-15(21)20-14(17(22)23-4)10-12-11-8-6-7-9-13(11)19-16(12)18(20,2)3/h6-14,19,26-27,30H,5,15-18H2,1-4H3;4-5,7-10,13-14,26H,3,6,11-12,15H2,1-2H3;5-12,19,22,25H,4,13H2,1-3H3;4-12,18,21,23H,3,13H2,1-2H3;6-9,14,19H,5,10H2,1-4H3/q+1;;;;/t19?,26?,27?,29-,31?;;;18-,21?;/m1..0./s1
InChIKeyIQHFXDRYIJQQSZ-GMIZPTDGSA-N
XLogP17.84
TPSA344.19 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.37
LogP ≤ 517.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate with MolForge

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Related Compounds

ethyl 2-aminoacetate;ethyl 2-(1H-indole-5-carbonylamino)acetate;2-(1H-indole-5-carbonylamino)acetic acid;1H-indole-5-carboxylic acid;N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-1H-indole-5-carboxamide;piperazin-1-yl-[2-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 158264635
Bis(2,2'-bipyridine-kappa^2^N,N')bis(1H-indole-2-carboxylato-kappa^2^O,O')cadmium-2,2'-bipyridine-water (1/0.5/2)
CID 139081495
H-Aib-DL-Trp-bAla(2R-Bn)-morpholide.H-Aib-DL-Trp-bAla(2-Bn)-OMe.H-Aib-DL-Trp-D-2Nal-OEt.pivaloyl-DL-Trp-bAla(2-Bn)-OBn
CID 53670705
methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59310563
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-[13-[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoyl]amino]propanoate
CID 89902657
ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
CID 91150394
benzyl N-[3-(1H-indol-3-yl)-1-[7-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptylamino]-1-oxopropan-2-yl]carbamate;N-[(2S)-3-methyl-1-[2-[[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]amino]ethylamino]-1-oxopentan-2-yl]pyridine-4-carboxamide;N-[(2S)-3-methyl-1-[8-[[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]amino]octylamino]-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 121468473
benzyl 3-(1H-indol-3-yl)-2-[[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]propanoate
CID 141500540
benzyl (3S)-2-[6-[[(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-1H-indol-3-yl]propanoyl]amino]hexanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 141762407
13-cyclohexyl-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;(E)-3-[4-[[1-[[13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid;13-cyclohexyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;methane;methyl 13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 13-cyclohexyl-6-(4-pyridin-4-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 157607490
1-(hydroxyamino)-4-methyl-N-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxamide;methyl 4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylate;methyl 4-methyl-1-(phenylmethoxyamino)-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxylate;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid;4-methyl-1-(phenylmethoxyamino)-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxylic acid;4-methyl-1-(phenylmethoxyamino)-N-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxamide
CID 157675405
3-(hydroxymethyl)-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;3-(hydroxymethyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid;methyl 3-(hydroxymethyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylate
CID 157923952

Frequently Asked Questions

What is the IUPAC name of methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate?
The IUPAC name of methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate (CID 159375118) is methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate.
What is the SMILES notation for methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate?
The canonical SMILES for methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate is CCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1(C)C.CCC(=O)N1C(C(=O)OC)Cc2c([nH]c3ccccc23)C1c1ccc(C(=O)OC)cc1.CCC(=O)N1C(c2ccccc2)c2[nH]c3ccccc3c2C[C@H]1C(=O)OC.CCC(=O)N1C2(C(=O)OC)CCCC1(c1ccncc1)c1[nH]c3ccccc3c1C2.CCC(=O)[N+]12CC3=C(C[C@@]1(C(=O)OC)CC(C)C(NC)C2c1ccccc1)c1ccccc1C3.
What is the InChIKey of methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate?
The InChIKey is IQHFXDRYIJQQSZ-GMIZPTDGSA-N. The full InChI is InChI=1S/C29H35N2O3.C24H25N3O3.C24H24N2O5.C22H22N2O3.C18H22N2O3/c1-5-25(32)31-18-22-15-21-13-9-10-14-23(21)24(22)17-29(31,28(33)34-4)16-19(2)26(30-3)27(31)20-11-7-6-8-12-20;1-3-20(28)27-23(22(29)30-2)11-6-12-24(27,16-9-13-25-14-10-16)21-18(15-23)17-7-4-5-8-19(17)26-21;1-4-20(27)26-19(24(29)31-3)13-17-16-7-5-6-8-18(16)25-21(17)22(26)14-9-11-15(12-10-14)23(28)30-2;1-3-19(25)24-18(22(26)27-2)13-16-15-11-7-8-12-17(15)23-20(16)21(24)14-9-5-4-6-10-14;1-5-15(21)20-14(17(22)23-4)10-12-11-8-6-7-9-13(11)19-16(12)18(20,2)3/h6-14,19,26-27,30H,5,15-18H2,1-4H3;4-5,7-10,13-14,26H,3,6,11-12,15H2,1-2H3;5-12,19,22,25H,4,13H2,1-3H3;4-12,18,21,23H,3,13H2,1-2H3;6-9,14,19H,5,10H2,1-4H3/q+1;;;;/t19?,26?,27?,29-,31?;;;18-,21?;/m1..0./s1.
What are the key properties of methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate?
methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate has a molecular weight of 1960.37 g/mol, XLogP of 17.84, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (12aR)-2-methyl-3-(methylamino)-4-phenyl-5-propanoyl-2,3,4,6,7,12-hexahydro-1H-indeno[1,2-b]quinolizin-5-ium-12a-carboxylate;methyl 1,1-dimethyl-2-propanoyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;methyl 1-(4-methoxycarbonylphenyl)-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl (3S)-1-phenyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;methyl 16-propanoyl-1-pyridin-4-yl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-12-carboxylate is sourced from PubChem (CID 159375118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).