4-carboxy-2-methylquinolin-6-olate

C11H8NO3- — CID 54706535

IUPAC4-carboxy-2-methylquinolin-6-olate
SMILESCc1cc(C(=O)O)c2cc([O-])ccc2n1
InChIInChI=1S/C11H9NO3/c1-6-4-9(11(14)15)8-5-7(13)2-3-10(8)12-6/h2-5,13H,1H3,(H,14,15)/p-1
InChIKeyZMFWTUBNIJBJDB-UHFFFAOYSA-M
MW202.19 g/mol
LogP1.32
Rot. Bonds1

About 4-carboxy-2-methylquinolin-6-olate

4-carboxy-2-methylquinolin-6-olate (PubChem CID 54706535) has the molecular formula C11H8NO3- and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-carboxy-2-methylquinolin-6-olate.

Molecular Properties

Compound Name4-carboxy-2-methylquinolin-6-olate
PubChem CID54706535
Molecular FormulaC11H8NO3-
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name4-carboxy-2-methylquinolin-6-olate
SMILESCc1cc(C(=O)O)c2cc([O-])ccc2n1
InChIInChI=1S/C11H9NO3/c1-6-4-9(11(14)15)8-5-7(13)2-3-10(8)12-6/h2-5,13H,1H3,(H,14,15)/p-1
InChIKeyZMFWTUBNIJBJDB-UHFFFAOYSA-M
XLogP1.32
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
6-(disulfanyl)-2-methylquinoline-4-carboxylic acid
CID 123387411
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176
3-carboxy-4-methylphenolate
CID 54720119
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
CID 165354987
2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate
CID 3292528
6-iodo-2-methylquinoline-4-carboxamide
CID 12511256
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
2,5-dimethylquinoline-6-carboxylic acid
CID 156863593

Frequently Asked Questions

What is the IUPAC name of 4-carboxy-2-methylquinolin-6-olate?
The IUPAC name of 4-carboxy-2-methylquinolin-6-olate (CID 54706535) is 4-carboxy-2-methylquinolin-6-olate.
What is the SMILES notation for 4-carboxy-2-methylquinolin-6-olate?
The canonical SMILES for 4-carboxy-2-methylquinolin-6-olate is Cc1cc(C(=O)O)c2cc([O-])ccc2n1.
What is the InChIKey of 4-carboxy-2-methylquinolin-6-olate?
The InChIKey is ZMFWTUBNIJBJDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO3/c1-6-4-9(11(14)15)8-5-7(13)2-3-10(8)12-6/h2-5,13H,1H3,(H,14,15)/p-1.
What are the key properties of 4-carboxy-2-methylquinolin-6-olate?
4-carboxy-2-methylquinolin-6-olate has a molecular weight of 202.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxy-2-methylquinolin-6-olate is sourced from PubChem (CID 54706535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).