2,7-dimethylquinoline-3-carboxylic acid

C12H11NO2 — CID 818247

IUPAC2,7-dimethylquinoline-3-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)c(C)nc2c1
InChIInChI=1S/C12H11NO2/c1-7-3-4-9-6-10(12(14)15)8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15)
InChIKeyWKTYGVBJWKJPEY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.55
Rot. Bonds1

About 2,7-dimethylquinoline-3-carboxylic acid

2,7-dimethylquinoline-3-carboxylic acid (PubChem CID 818247) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,7-dimethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethylquinoline-3-carboxylic acid
PubChem CID818247
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2,7-dimethylquinoline-3-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)c(C)nc2c1
InChIInChI=1S/C12H11NO2/c1-7-3-4-9-6-10(12(14)15)8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15)
InChIKeyWKTYGVBJWKJPEY-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylquinoline-3-carboxylic acid?
The IUPAC name of 2,7-dimethylquinoline-3-carboxylic acid (CID 818247) is 2,7-dimethylquinoline-3-carboxylic acid.
What is the SMILES notation for 2,7-dimethylquinoline-3-carboxylic acid?
The canonical SMILES for 2,7-dimethylquinoline-3-carboxylic acid is Cc1ccc2cc(C(=O)O)c(C)nc2c1.
What is the InChIKey of 2,7-dimethylquinoline-3-carboxylic acid?
The InChIKey is WKTYGVBJWKJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-3-4-9-6-10(12(14)15)8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2,7-dimethylquinoline-3-carboxylic acid?
2,7-dimethylquinoline-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylquinoline-3-carboxylic acid is sourced from PubChem (CID 818247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).