ethyl 2-ethoxy-2H-quinoline-1-carboxylate

C14H17NO3 — CID 27833

IUPACethyl 2-ethoxy-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1OCC
InChIInChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3
InChIKeyGKQLYSROISKDLL-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.04
Rot. Bonds3

About ethyl 2-ethoxy-2H-quinoline-1-carboxylate

ethyl 2-ethoxy-2H-quinoline-1-carboxylate (PubChem CID 27833) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-ethoxy-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2H-quinoline-1-carboxylate
PubChem CID27833
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-ethoxy-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1OCC
InChIInChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3
InChIKeyGKQLYSROISKDLL-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 2-ethoxy-2H-quinoline-1-carboxylate (CID 27833) is ethyl 2-ethoxy-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-2H-quinoline-1-carboxylate is CCOC(=O)N1c2ccccc2C=CC1OCC.
What is the InChIKey of ethyl 2-ethoxy-2H-quinoline-1-carboxylate?
The InChIKey is GKQLYSROISKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-2H-quinoline-1-carboxylate?
ethyl 2-ethoxy-2H-quinoline-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2H-quinoline-1-carboxylate is sourced from PubChem (CID 27833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).