ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate

C19H20N2O3 — CID 21194412

IUPACethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(C)ccc(OCc3ccccn3)c2n1C
InChIInChI=1S/C19H20N2O3/c1-4-23-19(22)16-11-15-13(2)8-9-17(18(15)21(16)3)24-12-14-7-5-6-10-20-14/h5-11H,4,12H2,1-3H3
InChIKeyKFIXQDFBXCFEQY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.64
Rot. Bonds5

About ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate

ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate (PubChem CID 21194412) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate
PubChem CID21194412
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(C)ccc(OCc3ccccn3)c2n1C
InChIInChI=1S/C19H20N2O3/c1-4-23-19(22)16-11-15-13(2)8-9-17(18(15)21(16)3)24-12-14-7-5-6-10-20-14/h5-11H,4,12H2,1-3H3
InChIKeyKFIXQDFBXCFEQY-UHFFFAOYSA-N
XLogP3.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
ethyl 5-tert-butyl-1-(pyridin-2-ylmethyl)indole-2-carboxylate
CID 15979366
ethyl 1,3,5-trimethyl-4-[2-(2-pyridin-2-ylethylamino)acetyl]pyrrole-2-carboxylate
CID 42821142
ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 166475904
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
ethyl 4-chloro-1-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]indole-2-carboxylate
CID 21194467
ethyl 6,7-dichloro-1-methylindole-2-carboxylate
CID 56945983
ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate
CID 174244631
ethyl 6-(pyridin-2-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 169229591
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate?
The IUPAC name of ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate (CID 21194412) is ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate.
What is the SMILES notation for ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate?
The canonical SMILES for ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate is CCOC(=O)c1cc2c(C)ccc(OCc3ccccn3)c2n1C.
What is the InChIKey of ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate?
The InChIKey is KFIXQDFBXCFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-23-19(22)16-11-15-13(2)8-9-17(18(15)21(16)3)24-12-14-7-5-6-10-20-14/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate?
ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate is sourced from PubChem (CID 21194412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).