ethyl 2-methylquinoline-4-carboxylate

C13H13NO2 — CID 1074072

IUPACethyl 2-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyQLDHESIQYKWVIL-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.72
Rot. Bonds2

About ethyl 2-methylquinoline-4-carboxylate

ethyl 2-methylquinoline-4-carboxylate (PubChem CID 1074072) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylquinoline-4-carboxylate
PubChem CID1074072
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameethyl 2-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyQLDHESIQYKWVIL-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-methylquinoline-4-carboxylate (CID 1074072) is ethyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-methylquinoline-4-carboxylate is CCOC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of ethyl 2-methylquinoline-4-carboxylate?
The InChIKey is QLDHESIQYKWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-16-13(15)11-8-9(2)14-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-methylquinoline-4-carboxylate?
ethyl 2-methylquinoline-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 1074072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).