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

C97H78FN15O12 — CID 161431573

IUPAC7-[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
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.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.O=C1C=C(NCCc2c[nH]c3ccccc23)C(=O)c2ncccc21
InChIInChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C19H15N3O2/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;23-17-10-16(19(24)18-14(17)5-3-8-21-18)20-9-7-12-11-22-15-6-2-1-4-13(12)15/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;1-6,8,10-11,20,22H,7,9H2
InChIKeyVYBVGPWEXAYWJQ-UHFFFAOYSA-N
MW1664.78 g/mol
LogP13.45
Rot. Bonds21

About 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

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 (PubChem CID 161431573) has the molecular formula C97H78FN15O12 and a molecular weight of 1664.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID161431573
Molecular FormulaC97H78FN15O12
Molecular Weight1664.78 g/mol
Exact Mass1663.59
IUPAC Name7-[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
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.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.O=C1C=C(NCCc2c[nH]c3ccccc23)C(=O)c2ncccc21
InChIInChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C19H15N3O2/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;23-17-10-16(19(24)18-14(17)5-3-8-21-18)20-9-7-12-11-22-15-6-2-1-4-13(12)15/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;1-6,8,10-11,20,22H,7,9H2
InChIKeyVYBVGPWEXAYWJQ-UHFFFAOYSA-N
XLogP13.45
TPSA403.71 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001664.78
LogP ≤ 513.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-amino-4-(5-methoxy-1H-indol-3-yl)butan-2-one;1-(1,2-dimethylindol-3-yl)ethanone;(3-methyl-1H-indol-5-yl)methanol;5-methyl-3-(1,1,1-trifluoropropan-2-yl)-1H-indole;4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-2-one
CID 158346067
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159533361
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161285548
N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide
CID 167619445
[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 160735125
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
(E)-3-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-6-hydroxy-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid;ethyl (E)-3-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-6-hydroxy-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoate;ethyl (E)-3-(3,5-difluoro-4-methoxyphenyl)prop-2-enoate;2-fluoro-2-methylbutane;2-fluoro-2-methyl-N-[1-(5-methyl-1H-indol-3-yl)propan-2-yl]propan-1-amine;3-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-1H-indol-5-ol;5-methyl-1H-indole-3-carbaldehyde;1-(5-methyl-1H-indol-3-yl)propan-2-amine;5-methyl-3-[(Z)-2-nitroprop-1-enyl]-1H-indole
CID 157102530
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-methylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157110362
5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole;methane;methyl 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate;bis(methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate);5-phenoxy-2-(pyridin-1-ium-1-ylmethyl)-1H-indole;trimethyl-[4-[2-oxo-2-[(5-phenylmethoxyindol-1-yl)methoxy]ethyl]phenyl]azanium
CID 157453834
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157470009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.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.O=C1C=C(NCCc2c[nH]c3ccccc23)C(=O)c2ncccc21.
What is the InChIKey of 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?
The InChIKey is VYBVGPWEXAYWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C19H15N3O2/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;23-17-10-16(19(24)18-14(17)5-3-8-21-18)20-9-7-12-11-22-15-6-2-1-4-13(12)15/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;1-6,8,10-11,20,22H,7,9H2.
What are the key properties of 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?
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 has a molecular weight of 1664.78 g/mol, XLogP of 13.45, 21 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161431573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).