(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole

C102H100N8O16 — CID 157419899

IUPAC(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole
SMILESCCn1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21.CCn1cc(C(=O)C(C)C)c2ccc(OC)cc21.CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.COc1ccc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1.COc1ccc(-n2cc(C(C)=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/2C19H19NO3.C18H17NO3.C16H14N2O2.C15H12N2O3.C15H19NO2/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-9-8-15(22-3)10-16(17)18;1-2-17-11-15(12-6-4-3-5-7-12)14-10-13(18(19)20)8-9-16(14)17;1-20-12-5-2-10(3-6-12)14-9-16-15-7-4-11(17(18)19)8-13(14)15;1-5-16-9-13(15(17)10(2)3)12-7-6-11(18-4)8-14(12)16/h2*5-12H,4H2,1-3H3;4-11H,1-3H3;3-11H,2H2,1H3;2-9,16H,1H3;6-10H,5H2,1-4H3
InChIKeyPESCNJHOCFJNHD-UHFFFAOYSA-N
MW1693.96 g/mol
LogP23.17
Rot. Bonds24

About (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole

(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole (PubChem CID 157419899) has the molecular formula C102H100N8O16 and a molecular weight of 1693.96 g/mol. Its IUPAC name is (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole.

Molecular Properties

Compound Name(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole
PubChem CID157419899
Molecular FormulaC102H100N8O16
Molecular Weight1693.96 g/mol
Exact Mass1692.73
IUPAC Name(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole
SMILESCCn1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21.CCn1cc(C(=O)C(C)C)c2ccc(OC)cc21.CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.COc1ccc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1.COc1ccc(-n2cc(C(C)=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/2C19H19NO3.C18H17NO3.C16H14N2O2.C15H12N2O3.C15H19NO2/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-9-8-15(22-3)10-16(17)18;1-2-17-11-15(12-6-4-3-5-7-12)14-10-13(18(19)20)8-9-16(14)17;1-20-12-5-2-10(3-6-12)14-9-16-15-7-4-11(17(18)19)8-13(14)15;1-5-16-9-13(15(17)10(2)3)12-7-6-11(18-4)8-14(12)16/h2*5-12H,4H2,1-3H3;4-11H,1-3H3;3-11H,2H2,1H3;2-9,16H,1H3;6-10H,5H2,1-4H3
InChIKeyPESCNJHOCFJNHD-UHFFFAOYSA-N
XLogP23.17
TPSA268.84 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.96
LogP ≤ 523.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole with MolForge

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Related Compounds

2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 158101395
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
2-(1-Ethyl-5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 139080611
(1-Ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone
CID 157096997
4-methoxy-1H-indole;4-methoxy-1H-indole-3-carbaldehyde;4-methoxy-3-[(E)-2-nitroethenyl]-1H-indole;4-methoxy-3-(2-nitroethyl)-1H-indole;5-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 157367255
1-(1,5-dimethylindol-3-yl)ethanone;1-(5-ethoxy-1-methylindol-3-yl)ethanone;1-(5-hydroxy-1-methylindol-3-yl)ethanone;5-methyl-1H-indole;1-(5-methyl-1H-indol-3-yl)ethanone
CID 157709982
(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;5-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;3-(4-methoxyphenyl)-5-nitro-1H-indole;5-propan-2-yl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile
CID 157840367
(1-Ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 158036518
5-Ethyl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;5-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f]indole-7-carbonitrile;5-propan-2-yl-[1,3]dioxolo[4,5-f]indole-7-carbonitrile
CID 158064808
3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride
CID 158140153
4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole
CID 158515605
1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone
CID 158570251

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole?
The IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole (CID 157419899) is (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole.
What is the SMILES notation for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole?
The canonical SMILES for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole is CCn1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21.CCn1cc(C(=O)C(C)C)c2ccc(OC)cc21.CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.COc1ccc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1.COc1ccc(-n2cc(C(C)=O)c3cc(OC)ccc32)cc1.
What is the InChIKey of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole?
The InChIKey is PESCNJHOCFJNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19NO3.C18H17NO3.C16H14N2O2.C15H12N2O3.C15H19NO2/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-9-8-15(22-3)10-16(17)18;1-2-17-11-15(12-6-4-3-5-7-12)14-10-13(18(19)20)8-9-16(14)17;1-20-12-5-2-10(3-6-12)14-9-16-15-7-4-11(17(18)19)8-13(14)15;1-5-16-9-13(15(17)10(2)3)12-7-6-11(18-4)8-14(12)16/h2*5-12H,4H2,1-3H3;4-11H,1-3H3;3-11H,2H2,1H3;2-9,16H,1H3;6-10H,5H2,1-4H3.
What are the key properties of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole?
(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole has a molecular weight of 1693.96 g/mol, XLogP of 23.17, 24 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;1-ethyl-5-nitro-3-phenylindole;1-[5-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone;3-(4-methoxyphenyl)-5-nitro-1H-indole is sourced from PubChem (CID 157419899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).