2-ethyl-8-methylquinoline-6-carboxylic acid

C13H13NO2 — CID 156718312

IUPAC2-ethyl-8-methylquinoline-6-carboxylic acid
SMILESCCc1ccc2cc(C(=O)O)cc(C)c2n1
InChIInChI=1S/C13H13NO2/c1-3-11-5-4-9-7-10(13(15)16)6-8(2)12(9)14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXFFQWFYPPVVZQJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.80
Rot. Bonds2

About 2-ethyl-8-methylquinoline-6-carboxylic acid

2-ethyl-8-methylquinoline-6-carboxylic acid (PubChem CID 156718312) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-ethyl-8-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-8-methylquinoline-6-carboxylic acid
PubChem CID156718312
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-ethyl-8-methylquinoline-6-carboxylic acid
SMILESCCc1ccc2cc(C(=O)O)cc(C)c2n1
InChIInChI=1S/C13H13NO2/c1-3-11-5-4-9-7-10(13(15)16)6-8(2)12(9)14-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyXFFQWFYPPVVZQJ-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-8-methylquinoline-6-carboxylic acid?
The IUPAC name of 2-ethyl-8-methylquinoline-6-carboxylic acid (CID 156718312) is 2-ethyl-8-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-8-methylquinoline-6-carboxylic acid?
The canonical SMILES for 2-ethyl-8-methylquinoline-6-carboxylic acid is CCc1ccc2cc(C(=O)O)cc(C)c2n1.
What is the InChIKey of 2-ethyl-8-methylquinoline-6-carboxylic acid?
The InChIKey is XFFQWFYPPVVZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-11-5-4-9-7-10(13(15)16)6-8(2)12(9)14-11/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-8-methylquinoline-6-carboxylic acid?
2-ethyl-8-methylquinoline-6-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-8-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 156718312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).