methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate

C23H25NO3 — CID 59127758

IUPACmethyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)c(-c3ccc(OC)cc3)n(C)c2c1
InChIInChI=1S/C23H25NO3/c1-24-20-14-17(23(25)27-3)10-13-19(20)21(15-6-4-5-7-15)22(24)16-8-11-18(26-2)12-9-16/h8-15H,4-7H2,1-3H3
InChIKeyCTULIOSVWCXWQM-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.30
Rot. Bonds4

About methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate

methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate (PubChem CID 59127758) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
PubChem CID59127758
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Namemethyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)c(-c3ccc(OC)cc3)n(C)c2c1
InChIInChI=1S/C23H25NO3/c1-24-20-14-17(23(25)27-3)10-13-19(20)21(15-6-4-5-7-15)22(24)16-8-11-18(26-2)12-9-16/h8-15H,4-7H2,1-3H3
InChIKeyCTULIOSVWCXWQM-UHFFFAOYSA-N
XLogP5.30
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 142207585
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1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
methyl 3-cyclohexyl-2-(4-methoxyphenyl)-1-[2-[4-[methyl(sulfamoyl)amino]butylamino]-2-oxoethyl]indole-6-carboxylate
CID 59549051
3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
CID 71501727
dimethyl (8S,10R)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate
CID 24739416
methyl 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate
CID 11248662
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CID 11552259
methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
CID 58866261
methyl 3-cyclopentyl-1-methyl-2-(4,4,5,5-tetramethyloxaborolan-2-yl)indole-6-carboxylate
CID 71084687
methyl 1-[[3-cyclohexyl-6-(cyclopentylsulfonylcarbamoyl)-2-(4-methoxyphenyl)indol-1-yl]methyl]cyclopropane-1-carboxylate
CID 70642501
methyl 13-cyclohexyl-3-methoxy-6-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate?
The IUPAC name of methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate (CID 59127758) is methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(C3CCCC3)c(-c3ccc(OC)cc3)n(C)c2c1.
What is the InChIKey of methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate?
The InChIKey is CTULIOSVWCXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-24-20-14-17(23(25)27-3)10-13-19(20)21(15-6-4-5-7-15)22(24)16-8-11-18(26-2)12-9-16/h8-15H,4-7H2,1-3H3.
What are the key properties of methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate?
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate is sourced from PubChem (CID 59127758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).