ethyl 2-ethylquinoline-6-carboxylate

C14H15NO2 — CID 142697026

IUPACethyl 2-ethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(CC)ccc2c1
InChIInChI=1S/C14H15NO2/c1-3-12-7-5-10-9-11(14(16)17-4-2)6-8-13(10)15-12/h5-9H,3-4H2,1-2H3
InChIKeyUKFPJFZPKVRALM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.97
Rot. Bonds3

About ethyl 2-ethylquinoline-6-carboxylate

ethyl 2-ethylquinoline-6-carboxylate (PubChem CID 142697026) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-ethylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethylquinoline-6-carboxylate
PubChem CID142697026
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 2-ethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(CC)ccc2c1
InChIInChI=1S/C14H15NO2/c1-3-12-7-5-10-9-11(14(16)17-4-2)6-8-13(10)15-12/h5-9H,3-4H2,1-2H3
InChIKeyUKFPJFZPKVRALM-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylquinoline-6-carboxylate?
The IUPAC name of ethyl 2-ethylquinoline-6-carboxylate (CID 142697026) is ethyl 2-ethylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-ethylquinoline-6-carboxylate?
The canonical SMILES for ethyl 2-ethylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(CC)ccc2c1.
What is the InChIKey of ethyl 2-ethylquinoline-6-carboxylate?
The InChIKey is UKFPJFZPKVRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-12-7-5-10-9-11(14(16)17-4-2)6-8-13(10)15-12/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethylquinoline-6-carboxylate?
ethyl 2-ethylquinoline-6-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylquinoline-6-carboxylate is sourced from PubChem (CID 142697026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).