ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate

C22H25N3O3 — CID 167530892

IUPACethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3
InChIKeyQBLOLELCAHJBDE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.21
Rot. Bonds6

About ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate

ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate (PubChem CID 167530892) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate
PubChem CID167530892
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3
InChIKeyQBLOLELCAHJBDE-UHFFFAOYSA-N
XLogP3.21
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate?
The IUPAC name of ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate (CID 167530892) is ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccncc3)ccc2n1CCN1CCOCC1.
What is the InChIKey of ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate?
The InChIKey is QBLOLELCAHJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3.
What are the key properties of ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate?
ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-ylindole-2-carboxylate is sourced from PubChem (CID 167530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).