1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid

C59H70N10O5 — CID 158522391

IUPAC1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1ccc2ccc(C(=O)O)nc2c1.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-n3nccn3)cc12.COCCn1c(C(C)=O)cc2cc(OC)cc(C(C)C)c21
InChIInChI=1S/C17H23NO3.C15H18N4.C14H16N4.C13H13NO2/c1-11(2)15-10-14(21-5)8-13-9-16(12(3)19)18(17(13)15)6-7-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-10(2)13-9-17(3)14-5-4-11(8-12(13)14)18-15-6-7-16-18;1-8(2)10-4-3-9-5-6-11(13(15)16)14-12(9)7-10/h8-11H,6-7H2,1-5H3;5-10H,1-4H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16)
InChIKeyHMJIWYDEBFUPTH-UHFFFAOYSA-N
MW999.27 g/mol
LogP12.66
Rot. Bonds12

About 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid

1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid (PubChem CID 158522391) has the molecular formula C59H70N10O5 and a molecular weight of 999.27 g/mol. Its IUPAC name is 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid
PubChem CID158522391
Molecular FormulaC59H70N10O5
Molecular Weight999.27 g/mol
Exact Mass998.55
IUPAC Name1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1ccc2ccc(C(=O)O)nc2c1.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-n3nccn3)cc12.COCCn1c(C(C)=O)cc2cc(OC)cc(C(C)C)c21
InChIInChI=1S/C17H23NO3.C15H18N4.C14H16N4.C13H13NO2/c1-11(2)15-10-14(21-5)8-13-9-16(12(3)19)18(17(13)15)6-7-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-10(2)13-9-17(3)14-5-4-11(8-12(13)14)18-15-6-7-16-18;1-8(2)10-4-3-9-5-6-11(13(15)16)14-12(9)7-10/h8-11H,6-7H2,1-5H3;5-10H,1-4H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16)
InChIKeyHMJIWYDEBFUPTH-UHFFFAOYSA-N
XLogP12.66
TPSA161.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.27
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
CID 157139035
1-benzyl-3-propan-2-ylindole-5-carboxylic acid;1-[(3-cyanophenyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-cyano-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;N,N-dimethyl-2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]acetamide;1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethoxy)-7-propan-2-ylindole-2-carboxylic acid
CID 157175953
10-(4-carbazol-9-ylphenyl)furo[2,3-a]carbazole;10-(4,5-diphenyl-1,2,4-triazol-3-yl)furo[2,3-a]carbazole;(E)-3-furo[2,3-a]carbazol-10-yl-1-phenylbut-2-ene-1,4-diimine;10-(4-isoquinolin-4-ylphenyl)furo[2,3-a]carbazole;10-(6-phenylpyridazin-3-yl)furo[2,3-a]carbazole
CID 157231716
1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;iridium;iridium(3+);methane;2-methylidene-3-phenyl-4H-chromen-4-ide;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene
CID 157603830
12-[2-[3-(1,3-Diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[4-(1,3-diphenyl-1,2,4-triazol-1-ium-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 157819985
1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-phenylpyridine;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene;3-pyridin-2-yl-4H-chromen-4-id-2-one
CID 157826450
5-(2-Methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-2-ylindole;1-[1-[(2-methyltriazol-4-yl)methyl]-7-propan-2-ylindol-2-yl]ethanone;3-propan-2-yl-5-pyrimidin-2-yl-1-(2-pyrrolidin-1-ylethyl)indole
CID 157927771
5-[2-(dimethylamino)ethoxy]-1-(2-methoxyethyl)-7-propan-2-ylindole-3-carboxylic acid;1-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid;5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindole-3-carboxylic acid;5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3-propan-2-ylindole;1-methyl-5-[1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;3-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;1-methyl-3-propan-2-yl-5-(triazol-1-yl)indole;1-(4-propan-2-ylquinolin-2-yl)ethanone
CID 157979797
1-(2-Methoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(4-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;3-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid;7-propan-2-yl-1-(pyridin-4-ylmethyl)indole-3-carboxylic acid
CID 158068277
4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;iridium;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene
CID 158416946
1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;iridium;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;2-propan-2-yl-2,3-diaza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),3,5,7,9,11,13,15-octaene
CID 158458075
Hexakis(carbon dioxide);5-cyclopenta-1,4-dien-1-yl-1-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;3-[3-(1,2-diphenylimidazol-4-yl)phenyl]benzoic acid;3-[3-(2-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;methane;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;2-methyl-5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]pyridine;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 158580209

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid?
The IUPAC name of 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid (CID 158522391) is 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid?
The canonical SMILES for 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid is CC(C)c1ccc2ccc(C(=O)O)nc2c1.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-n3nccn3)cc12.COCCn1c(C(C)=O)cc2cc(OC)cc(C(C)C)c21.
What is the InChIKey of 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid?
The InChIKey is HMJIWYDEBFUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3.C15H18N4.C14H16N4.C13H13NO2/c1-11(2)15-10-14(21-5)8-13-9-16(12(3)19)18(17(13)15)6-7-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-10(2)13-9-17(3)14-5-4-11(8-12(13)14)18-15-6-7-16-18;1-8(2)10-4-3-9-5-6-11(13(15)16)14-12(9)7-10/h8-11H,6-7H2,1-5H3;5-10H,1-4H3;4-10H,1-3H3;3-8H,1-2H3,(H,15,16).
What are the key properties of 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid?
1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid has a molecular weight of 999.27 g/mol, XLogP of 12.66, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 158522391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).