methyl 8-ethylquinoline-4-carboxylate

C13H13NO2 — CID 102941710

IUPACmethyl 8-ethylquinoline-4-carboxylate
SMILESCCc1cccc2c(C(=O)OC)ccnc12
InChIInChI=1S/C13H13NO2/c1-3-9-5-4-6-10-11(13(15)16-2)7-8-14-12(9)10/h4-8H,3H2,1-2H3
InChIKeyKVJFILRBJOBDAH-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.58
Rot. Bonds2

About methyl 8-ethylquinoline-4-carboxylate

methyl 8-ethylquinoline-4-carboxylate (PubChem CID 102941710) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 8-ethylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-ethylquinoline-4-carboxylate
PubChem CID102941710
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 8-ethylquinoline-4-carboxylate
SMILESCCc1cccc2c(C(=O)OC)ccnc12
InChIInChI=1S/C13H13NO2/c1-3-9-5-4-6-10-11(13(15)16-2)7-8-14-12(9)10/h4-8H,3H2,1-2H3
InChIKeyKVJFILRBJOBDAH-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(2-methoxyethyl)quinoline-4-carboxylate
CID 102941832
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
methyl 8-methylsulfanylquinoline-5-carboxylate
CID 14874964
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
2-(8-ethylquinolin-4-yl)oxyacetonitrile
CID 54772736
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 4-diazenylquinoline-8-carboxylate
CID 175138505
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803

Frequently Asked Questions

What is the IUPAC name of methyl 8-ethylquinoline-4-carboxylate?
The IUPAC name of methyl 8-ethylquinoline-4-carboxylate (CID 102941710) is methyl 8-ethylquinoline-4-carboxylate.
What is the SMILES notation for methyl 8-ethylquinoline-4-carboxylate?
The canonical SMILES for methyl 8-ethylquinoline-4-carboxylate is CCc1cccc2c(C(=O)OC)ccnc12.
What is the InChIKey of methyl 8-ethylquinoline-4-carboxylate?
The InChIKey is KVJFILRBJOBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-9-5-4-6-10-11(13(15)16-2)7-8-14-12(9)10/h4-8H,3H2,1-2H3.
What are the key properties of methyl 8-ethylquinoline-4-carboxylate?
methyl 8-ethylquinoline-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-ethylquinoline-4-carboxylate is sourced from PubChem (CID 102941710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).