2-(7,8-dimethylquinolin-2-yl)acetic acid

C13H13NO2 — CID 39099969

IUPAC2-(7,8-dimethylquinolin-2-yl)acetic acid
SMILESCc1ccc2ccc(CC(=O)O)nc2c1C
InChIInChI=1S/C13H13NO2/c1-8-3-4-10-5-6-11(7-12(15)16)14-13(10)9(8)2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyZGAUWCNIHRDRSN-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.48
Rot. Bonds2

About 2-(7,8-dimethylquinolin-2-yl)acetic acid

2-(7,8-dimethylquinolin-2-yl)acetic acid (PubChem CID 39099969) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(7,8-dimethylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7,8-dimethylquinolin-2-yl)acetic acid
PubChem CID39099969
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(7,8-dimethylquinolin-2-yl)acetic acid
SMILESCc1ccc2ccc(CC(=O)O)nc2c1C
InChIInChI=1S/C13H13NO2/c1-8-3-4-10-5-6-11(7-12(15)16)14-13(10)9(8)2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyZGAUWCNIHRDRSN-UHFFFAOYSA-N
XLogP2.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-methylquinolin-2-yl)acetamide
CID 110487629
CID 131847838
CID 131847838
2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
CID 82574919
2-(3,4-dimethyl-2-sulfanylphenyl)acetic acid
CID 91874745
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
CID 174767599
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
2-ethyl-8-methylquinoline-6-carboxylic acid
CID 156718312
7,8-dimethylcinnoline-3-carboxylic acid
CID 82397182
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(7,8-dimethylquinolin-2-yl)acetic acid (CID 39099969) is 2-(7,8-dimethylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(7,8-dimethylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(7,8-dimethylquinolin-2-yl)acetic acid is Cc1ccc2ccc(CC(=O)O)nc2c1C.
What is the InChIKey of 2-(7,8-dimethylquinolin-2-yl)acetic acid?
The InChIKey is ZGAUWCNIHRDRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-3-4-10-5-6-11(7-12(15)16)14-13(10)9(8)2/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(7,8-dimethylquinolin-2-yl)acetic acid?
2-(7,8-dimethylquinolin-2-yl)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethylquinolin-2-yl)acetic acid is sourced from PubChem (CID 39099969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).