2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

C127H105BrFN17O16 — CID 161297692

IUPAC2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1Br.Cc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1.Cc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1.Cc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.O=C1C=C(NCCc2c[nH]c3ccc(F)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2c[nH]c3ccc(O)cc23)C(=O)c2ncccc21
InChIInChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C17H14BrNO2.2C16H14N2O2/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;1-12-4-5-16-15(9-12)13(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;20-12-3-4-15-14(8-12)11(10-23-15)5-7-21-16-9-17(24)13-2-1-6-22-18(13)19(16)25;23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25;1-11-6-7-12(10-15(11)18)8-9-19-16(20)13-4-2-3-5-14(13)17(19)21;1-11-2-4-12(5-3-11)7-9-18-15(19)13-6-8-17-10-14(13)16(18)20;1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16(18)20/h2-5,7,9-11,21,23H,6,8H2,1H3;2-5,7,9-11,21,23H,6,8H2,1H3;1-4,6,8-10,21,23H,5,7H2;1-4,6,8-10,20,22-23H,5,7H2;2-7,10H,8-9H2,1H3;2-6,8,10H,7,9H2,1H3;2-7,9H,8,10H2,1H3
InChIKeyVHEQELVOFVJDDS-UHFFFAOYSA-N
MW2224.24 g/mol
LogP18.85
Rot. Bonds26

About 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 161297692) has the molecular formula C127H105BrFN17O16 and a molecular weight of 2224.24 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID161297692
Molecular FormulaC127H105BrFN17O16
Molecular Weight2224.24 g/mol
Exact Mass2221.71
IUPAC Name2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1Br.Cc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1.Cc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1.Cc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.O=C1C=C(NCCc2c[nH]c3ccc(F)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2c[nH]c3ccc(O)cc23)C(=O)c2ncccc21
InChIInChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C17H14BrNO2.2C16H14N2O2/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;1-12-4-5-16-15(9-12)13(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;20-12-3-4-15-14(8-12)11(10-23-15)5-7-21-16-9-17(24)13-2-1-6-22-18(13)19(16)25;23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25;1-11-6-7-12(10-15(11)18)8-9-19-16(20)13-4-2-3-5-14(13)17(19)21;1-11-2-4-12(5-3-11)7-9-18-15(19)13-6-8-17-10-14(13)16(18)20;1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16(18)20/h2-5,7,9-11,21,23H,6,8H2,1H3;2-5,7,9-11,21,23H,6,8H2,1H3;1-4,6,8-10,21,23H,5,7H2;1-4,6,8-10,20,22-23H,5,7H2;2-7,10H,8-9H2,1H3;2-6,8,10H,7,9H2,1H3;2-7,9H,8,10H2,1H3
InChIKeyVHEQELVOFVJDDS-UHFFFAOYSA-N
XLogP18.85
TPSA466.78 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002224.24
LogP ≤ 518.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

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Related Compounds

2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 157066003
7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 157101749
2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;methane;(Z)-4-oxopent-2-enoic acid
CID 158731478
ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 159170271
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indene-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-ethyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide)
CID 159882607
(5R)-5-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(4-bromo-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[2-(6-fluoro-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1H-quinazoline-2,4-dione
CID 160344080
N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-ethyl-1H-indole-2-carboxamide;N-(cyclohexylmethyl)-N-ethyl-1H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-1H-indene-2-carboxamide;N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 160353750
(3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3-methoxy-5-methylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 161083299
7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 161431573
7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(4-hydroxy-3,5-dimethylphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 161497688
2-(1,3-dioxoisoindol-2-yl)-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-(1,3-dioxoisoindol-2-yl)-3-(5-methyl-1H-indol-3-yl)propanoic acid;pyrrolo[3,4-c]pyridine-1,3-dione
CID 162089758

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 161297692) is 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is COc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1Br.Cc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1.Cc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1.Cc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.O=C1C=C(NCCc2c[nH]c3ccc(F)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2c[nH]c3ccc(O)cc23)C(=O)c2ncccc21.
What is the InChIKey of 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is VHEQELVOFVJDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C17H14BrNO2.2C16H14N2O2/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;1-12-4-5-16-15(9-12)13(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;20-12-3-4-15-14(8-12)11(10-23-15)5-7-21-16-9-17(24)13-2-1-6-22-18(13)19(16)25;23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25;1-11-6-7-12(10-15(11)18)8-9-19-16(20)13-4-2-3-5-14(13)17(19)21;1-11-2-4-12(5-3-11)7-9-18-15(19)13-6-8-17-10-14(13)16(18)20;1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16(18)20/h2-5,7,9-11,21,23H,6,8H2,1H3;2-5,7,9-11,21,23H,6,8H2,1H3;1-4,6,8-10,21,23H,5,7H2;1-4,6,8-10,20,22-23H,5,7H2;2-7,10H,8-9H2,1H3;2-6,8,10H,7,9H2,1H3;2-7,9H,8,10H2,1H3.
What are the key properties of 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 2224.24 g/mol, XLogP of 18.85, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 161297692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).