2-ethyl-3-methylquinoline-4-carboxylic acid

C13H13NO2 — CID 865215

IUPAC2-ethyl-3-methylquinoline-4-carboxylic acid
SMILESCCc1nc2ccccc2c(C(=O)O)c1C
InChIInChI=1S/C13H13NO2/c1-3-10-8(2)12(13(15)16)9-6-4-5-7-11(9)14-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDWQIFUQLSDIOAR-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.80
Rot. Bonds2

About 2-ethyl-3-methylquinoline-4-carboxylic acid

2-ethyl-3-methylquinoline-4-carboxylic acid (PubChem CID 865215) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-ethyl-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methylquinoline-4-carboxylic acid
PubChem CID865215
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-ethyl-3-methylquinoline-4-carboxylic acid
SMILESCCc1nc2ccccc2c(C(=O)O)c1C
InChIInChI=1S/C13H13NO2/c1-3-10-8(2)12(13(15)16)9-6-4-5-7-11(9)14-10/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDWQIFUQLSDIOAR-UHFFFAOYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-methylquinoline-4-carboxylic acid (CID 865215) is 2-ethyl-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methylquinoline-4-carboxylic acid is CCc1nc2ccccc2c(C(=O)O)c1C.
What is the InChIKey of 2-ethyl-3-methylquinoline-4-carboxylic acid?
The InChIKey is DWQIFUQLSDIOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-10-8(2)12(13(15)16)9-6-4-5-7-11(9)14-10/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-3-methylquinoline-4-carboxylic acid?
2-ethyl-3-methylquinoline-4-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 865215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).