ethyl 6,8-dimethylquinoline-2-carboxylate

C14H15NO2 — CID 102310352

IUPACethyl 6,8-dimethylquinoline-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(C)cc(C)c2n1
InChIInChI=1S/C14H15NO2/c1-4-17-14(16)12-6-5-11-8-9(2)7-10(3)13(11)15-12/h5-8H,4H2,1-3H3
InChIKeyDTOWWDSLUHDBIW-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.03
Rot. Bonds2

About ethyl 6,8-dimethylquinoline-2-carboxylate

ethyl 6,8-dimethylquinoline-2-carboxylate (PubChem CID 102310352) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 6,8-dimethylquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethylquinoline-2-carboxylate
PubChem CID102310352
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 6,8-dimethylquinoline-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(C)cc(C)c2n1
InChIInChI=1S/C14H15NO2/c1-4-17-14(16)12-6-5-11-8-9(2)7-10(3)13(11)15-12/h5-8H,4H2,1-3H3
InChIKeyDTOWWDSLUHDBIW-UHFFFAOYSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxycarbonylquinoline-8-carboxylic acid
CID 141289138
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 6-benzyl-5-methylpyridine-2-carboxylate
CID 25194907
ethyl 8-methyl-2-phenylquinoline-6-carboxylate
CID 164676553
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
CID 113376952
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
CID 137423081
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethylquinoline-2-carboxylate?
The IUPAC name of ethyl 6,8-dimethylquinoline-2-carboxylate (CID 102310352) is ethyl 6,8-dimethylquinoline-2-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethylquinoline-2-carboxylate?
The canonical SMILES for ethyl 6,8-dimethylquinoline-2-carboxylate is CCOC(=O)c1ccc2cc(C)cc(C)c2n1.
What is the InChIKey of ethyl 6,8-dimethylquinoline-2-carboxylate?
The InChIKey is DTOWWDSLUHDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-17-14(16)12-6-5-11-8-9(2)7-10(3)13(11)15-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6,8-dimethylquinoline-2-carboxylate?
ethyl 6,8-dimethylquinoline-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethylquinoline-2-carboxylate is sourced from PubChem (CID 102310352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).