4,7,8-trimethylquinoline-2-carboxylic acid

C13H13NO2 — CID 82574760

IUPAC4,7,8-trimethylquinoline-2-carboxylic acid
SMILESCc1ccc2c(C)cc(C(=O)O)nc2c1C
InChIInChI=1S/C13H13NO2/c1-7-4-5-10-8(2)6-11(13(15)16)14-12(10)9(7)3/h4-6H,1-3H3,(H,15,16)
InChIKeyXFPDKAVXLCAPEN-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.86
Rot. Bonds1

About 4,7,8-trimethylquinoline-2-carboxylic acid

4,7,8-trimethylquinoline-2-carboxylic acid (PubChem CID 82574760) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4,7,8-trimethylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4,7,8-trimethylquinoline-2-carboxylic acid
PubChem CID82574760
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4,7,8-trimethylquinoline-2-carboxylic acid
SMILESCc1ccc2c(C)cc(C(=O)O)nc2c1C
InChIInChI=1S/C13H13NO2/c1-7-4-5-10-8(2)6-11(13(15)16)14-12(10)9(7)3/h4-6H,1-3H3,(H,15,16)
InChIKeyXFPDKAVXLCAPEN-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dimethylcinnoline-3-carboxylic acid
CID 82397182
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426
2-(4,7,8-trimethylquinolin-2-yl)propan-1-amine
CID 84625533
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
CID 19788037
1,8-dichloro-5-methylisoquinoline-3-carboxylic acid
CID 114517741
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethylquinoline-2-carboxylic acid?
The IUPAC name of 4,7,8-trimethylquinoline-2-carboxylic acid (CID 82574760) is 4,7,8-trimethylquinoline-2-carboxylic acid.
What is the SMILES notation for 4,7,8-trimethylquinoline-2-carboxylic acid?
The canonical SMILES for 4,7,8-trimethylquinoline-2-carboxylic acid is Cc1ccc2c(C)cc(C(=O)O)nc2c1C.
What is the InChIKey of 4,7,8-trimethylquinoline-2-carboxylic acid?
The InChIKey is XFPDKAVXLCAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-7-4-5-10-8(2)6-11(13(15)16)14-12(10)9(7)3/h4-6H,1-3H3,(H,15,16).
What are the key properties of 4,7,8-trimethylquinoline-2-carboxylic acid?
4,7,8-trimethylquinoline-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethylquinoline-2-carboxylic acid is sourced from PubChem (CID 82574760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).