methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate

C23H28N2O2 — CID 70528899

IUPACmethyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate
SMILESCOC(=O)CCCCCCCc1cccc2[nH]c(-c3cccnc3)c(C)c12
InChIInChI=1S/C23H28N2O2/c1-17-22-18(10-6-4-3-5-7-14-21(26)27-2)11-8-13-20(22)25-23(17)19-12-9-15-24-16-19/h8-9,11-13,15-16,25H,3-7,10,14H2,1-2H3
InChIKeyVRTNVVZBUXPZEK-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.59
Rot. Bonds9

About methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate

methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate (PubChem CID 70528899) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate.

Molecular Properties

Compound Namemethyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate
PubChem CID70528899
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namemethyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate
SMILESCOC(=O)CCCCCCCc1cccc2[nH]c(-c3cccnc3)c(C)c12
InChIInChI=1S/C23H28N2O2/c1-17-22-18(10-6-4-3-5-7-14-21(26)27-2)11-8-13-20(22)25-23(17)19-12-9-15-24-16-19/h8-9,11-13,15-16,25H,3-7,10,14H2,1-2H3
InChIKeyVRTNVVZBUXPZEK-UHFFFAOYSA-N
XLogP5.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate with MolForge

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Related Compounds

dimethyl 2-[6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexyl]propanedioate
CID 70531318
6-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)hexanal
CID 88736957
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
(2-pyridin-3-yl-1H-indol-3-yl) butanoate
CID 70194971
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
CID 70490518
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
methyl 6-isoquinolin-1-ylhexanoate
CID 18979293
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
methyl 6-[formyl(pyridin-3-yl)amino]hexanoate
CID 71430476

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate?
The IUPAC name of methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate (CID 70528899) is methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate.
What is the SMILES notation for methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate?
The canonical SMILES for methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate is COC(=O)CCCCCCCc1cccc2[nH]c(-c3cccnc3)c(C)c12.
What is the InChIKey of methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate?
The InChIKey is VRTNVVZBUXPZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-22-18(10-6-4-3-5-7-14-21(26)27-2)11-8-13-20(22)25-23(17)19-12-9-15-24-16-19/h8-9,11-13,15-16,25H,3-7,10,14H2,1-2H3.
What are the key properties of methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate?
methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate has a molecular weight of 364.49 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-methyl-2-pyridin-3-yl-1H-indol-4-yl)octanoate is sourced from PubChem (CID 70528899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).