ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate

C20H18N2O4 — CID 18185208

IUPACethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCc3ccc(C#N)cc3)c(OC)cc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-3-25-20(23)17-8-15-9-19(18(24-2)10-16(15)22-17)26-12-14-6-4-13(11-21)5-7-14/h4-10,22H,3,12H2,1-2H3
InChIKeyUIPGQUVSHBOJBU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.80
Rot. Bonds6

About ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate

ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate (PubChem CID 18185208) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate
PubChem CID18185208
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCc3ccc(C#N)cc3)c(OC)cc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-3-25-20(23)17-8-15-9-19(18(24-2)10-16(15)22-17)26-12-14-6-4-13(11-21)5-7-14/h4-10,22H,3,12H2,1-2H3
InChIKeyUIPGQUVSHBOJBU-UHFFFAOYSA-N
XLogP3.80
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
ethyl 5-cyano-7-methoxy-1H-indole-2-carboxylate
CID 165348341
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
CID 51263900
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate (CID 18185208) is ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OCc3ccc(C#N)cc3)c(OC)cc2[nH]1.
What is the InChIKey of ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate?
The InChIKey is UIPGQUVSHBOJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-25-20(23)17-8-15-9-19(18(24-2)10-16(15)22-17)26-12-14-6-4-13(11-21)5-7-14/h4-10,22H,3,12H2,1-2H3.
What are the key properties of ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate?
ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 18185208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).