4-methoxyquinoline-2-carboxylic acid

C11H9NO3 — CID 594596

IUPAC4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14)
InChIKeyAVBKMSSLAIKOGM-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.94
Rot. Bonds2

About 4-methoxyquinoline-2-carboxylic acid

4-methoxyquinoline-2-carboxylic acid (PubChem CID 594596) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxyquinoline-2-carboxylic acid
PubChem CID594596
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14)
InChIKeyAVBKMSSLAIKOGM-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 4-methoxyquinoline-2-carboxylic acid (CID 594596) is 4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 4-methoxyquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-methoxyquinoline-2-carboxylic acid?
The InChIKey is AVBKMSSLAIKOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14).
What are the key properties of 4-methoxyquinoline-2-carboxylic acid?
4-methoxyquinoline-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 594596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).