7-methylquinoline-2,4-dicarboxylic acid

C12H9NO4 — CID 121010351

IUPAC7-methylquinoline-2,4-dicarboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(C(=O)O)nc2c1
InChIInChI=1S/C12H9NO4/c1-6-2-3-7-8(11(14)15)5-10(12(16)17)13-9(7)4-6/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyUBZSVIFENNDZMU-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.94
Rot. Bonds2

About 7-methylquinoline-2,4-dicarboxylic acid

7-methylquinoline-2,4-dicarboxylic acid (PubChem CID 121010351) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 7-methylquinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name7-methylquinoline-2,4-dicarboxylic acid
PubChem CID121010351
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name7-methylquinoline-2,4-dicarboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(C(=O)O)nc2c1
InChIInChI=1S/C12H9NO4/c1-6-2-3-7-8(11(14)15)5-10(12(16)17)13-9(7)4-6/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyUBZSVIFENNDZMU-UHFFFAOYSA-N
XLogP1.94
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylquinoline-2,4-dicarboxylic acid?
The IUPAC name of 7-methylquinoline-2,4-dicarboxylic acid (CID 121010351) is 7-methylquinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 7-methylquinoline-2,4-dicarboxylic acid?
The canonical SMILES for 7-methylquinoline-2,4-dicarboxylic acid is Cc1ccc2c(C(=O)O)cc(C(=O)O)nc2c1.
What is the InChIKey of 7-methylquinoline-2,4-dicarboxylic acid?
The InChIKey is UBZSVIFENNDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c1-6-2-3-7-8(11(14)15)5-10(12(16)17)13-9(7)4-6/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-methylquinoline-2,4-dicarboxylic acid?
7-methylquinoline-2,4-dicarboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylquinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 121010351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).