ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate

C16H21NO3 — CID 159016591

IUPACethyl 2-ethoxy-2-ethylquinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1(CC)OCC
InChIInChI=1S/C16H21NO3/c1-4-16(20-6-3)12-11-13-9-7-8-10-14(13)17(16)15(18)19-5-2/h7-12H,4-6H2,1-3H3
InChIKeyJTDZYILWOLNLMZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.82
Rot. Bonds4

About ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate

ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate (PubChem CID 159016591) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-ethylquinoline-1-carboxylate
PubChem CID159016591
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-ethoxy-2-ethylquinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccccc2C=CC1(CC)OCC
InChIInChI=1S/C16H21NO3/c1-4-16(20-6-3)12-11-13-9-7-8-10-14(13)17(16)15(18)19-5-2/h7-12H,4-6H2,1-3H3
InChIKeyJTDZYILWOLNLMZ-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
ethyl 2-bromo-2-ethyl-3,4-dihydroquinoline-1-carboxylate
CID 141123912
ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
ethyl 1,3-dioxo-2-prop-2-enylimidazo[1,5-a]quinoline-3a-carboxylate
CID 176893549
ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
CID 11264981
diethyl 2-(1-ethoxycarbonyl-2H-quinolin-2-yl)-2-methylpropanedioate
CID 101357708
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
2-ethoxyethyl 2H-quinoline-1-carboxylate
CID 18677055
ethyl 2-(3-diazo-4-methoxy-2,4-dioxobutyl)-2H-quinoline-1-carboxylate
CID 101445569
ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
CID 175038908
ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 6455154
ethyl 2-(2,3-dioxo-4H-1-benzazocin-1-yl)acetate
CID 70502613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate?
The IUPAC name of ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate (CID 159016591) is ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate is CCOC(=O)N1c2ccccc2C=CC1(CC)OCC.
What is the InChIKey of ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate?
The InChIKey is JTDZYILWOLNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-16(20-6-3)12-11-13-9-7-8-10-14(13)17(16)15(18)19-5-2/h7-12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate?
ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-ethylquinoline-1-carboxylate is sourced from PubChem (CID 159016591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).