7-(1-methoxyethyl)quinoline-4-carboxylic acid

C13H13NO3 — CID 170539827

IUPAC7-(1-methoxyethyl)quinoline-4-carboxylic acid
SMILESCOC(C)c1ccc2c(C(=O)O)ccnc2c1
InChIInChI=1S/C13H13NO3/c1-8(17-2)9-3-4-10-11(13(15)16)5-6-14-12(10)7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyZNRLEYODRPOQNK-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.64
Rot. Bonds3

About 7-(1-methoxyethyl)quinoline-4-carboxylic acid

7-(1-methoxyethyl)quinoline-4-carboxylic acid (PubChem CID 170539827) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-(1-methoxyethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-(1-methoxyethyl)quinoline-4-carboxylic acid
PubChem CID170539827
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name7-(1-methoxyethyl)quinoline-4-carboxylic acid
SMILESCOC(C)c1ccc2c(C(=O)O)ccnc2c1
InChIInChI=1S/C13H13NO3/c1-8(17-2)9-3-4-10-11(13(15)16)5-6-14-12(10)7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyZNRLEYODRPOQNK-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methoxyethyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-(1-methoxyethyl)quinoline-4-carboxylic acid (CID 170539827) is 7-(1-methoxyethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-(1-methoxyethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-(1-methoxyethyl)quinoline-4-carboxylic acid is COC(C)c1ccc2c(C(=O)O)ccnc2c1.
What is the InChIKey of 7-(1-methoxyethyl)quinoline-4-carboxylic acid?
The InChIKey is ZNRLEYODRPOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(17-2)9-3-4-10-11(13(15)16)5-6-14-12(10)7-9/h3-8H,1-2H3,(H,15,16).
What are the key properties of 7-(1-methoxyethyl)quinoline-4-carboxylic acid?
7-(1-methoxyethyl)quinoline-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methoxyethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 170539827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).