methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate

C18H18N2O3 — CID 58088426

IUPACmethyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate
SMILESCOC(=O)CC(c1cccnc1)n1ccc2cccc(OC)c21
InChIInChI=1S/C18H18N2O3/c1-22-16-7-3-5-13-8-10-20(18(13)16)15(11-17(21)23-2)14-6-4-9-19-12-14/h3-10,12,15H,11H2,1-2H3
InChIKeyBCUWJBAOIQEZRM-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.20
Rot. Bonds5

About methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate

methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate (PubChem CID 58088426) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate
PubChem CID58088426
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate
SMILESCOC(=O)CC(c1cccnc1)n1ccc2cccc(OC)c21
InChIInChI=1S/C18H18N2O3/c1-22-16-7-3-5-13-8-10-20(18(13)16)15(11-17(21)23-2)14-6-4-9-19-12-14/h3-10,12,15H,11H2,1-2H3
InChIKeyBCUWJBAOIQEZRM-UHFFFAOYSA-N
XLogP3.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 58088581
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
methyl 3-(propan-2-ylamino)-3-pyridin-3-ylpropanoate
CID 140629631
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
CID 88971303
CID 88971303
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
methyl (3R)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
CID 96558332

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate?
The IUPAC name of methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate (CID 58088426) is methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate is COC(=O)CC(c1cccnc1)n1ccc2cccc(OC)c21.
What is the InChIKey of methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate?
The InChIKey is BCUWJBAOIQEZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-7-3-5-13-8-10-20(18(13)16)15(11-17(21)23-2)14-6-4-9-19-12-14/h3-10,12,15H,11H2,1-2H3.
What are the key properties of methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate?
methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate has a molecular weight of 310.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 58088426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).