2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid

C13H13NO3 — CID 82242835

IUPAC2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2ccccc2n1C
InChIInChI=1S/C13H13NO3/c1-8-10(7-12(15)16)13(17)9-5-3-4-6-11(9)14(8)2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyUFZUAGYZRHEEID-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.47
Rot. Bonds2

About 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid

2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82242835) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82242835
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2ccccc2n1C
InChIInChI=1S/C13H13NO3/c1-8-10(7-12(15)16)13(17)9-5-3-4-6-11(9)14(8)2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyUFZUAGYZRHEEID-UHFFFAOYSA-N
XLogP1.47
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
CID 175678995
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid (CID 82242835) is 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid is Cc1c(CC(=O)O)c(=O)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is UFZUAGYZRHEEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-10(7-12(15)16)13(17)9-5-3-4-6-11(9)14(8)2/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid?
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82242835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).