3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid

C11H12N2O3 — CID 112577462

IUPAC3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
SMILESCC1(C)Nc2c(cccc2C(=O)O)NC1=O
InChIInChI=1S/C11H12N2O3/c1-11(2)10(16)12-7-5-3-4-6(9(14)15)8(7)13-11/h3-5,13H,1-2H3,(H,12,16)(H,14,15)
InChIKeyPMZCJSLQTPEVJW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.53
Rot. Bonds1

About 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid

3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid (PubChem CID 112577462) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
PubChem CID112577462
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
SMILESCC1(C)Nc2c(cccc2C(=O)O)NC1=O
InChIInChI=1S/C11H12N2O3/c1-11(2)10(16)12-7-5-3-4-6(9(14)15)8(7)13-11/h3-5,13H,1-2H3,(H,12,16)(H,14,15)
InChIKeyPMZCJSLQTPEVJW-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
CID 112577491
3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115095893
5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
CID 84620322
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
1-ethyl-2,2-dimethyl-3-oxo-4H-quinoxaline-5-carboxylic acid
CID 113332344
3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
CID 90978779
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551926
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
4-cyclopropyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 112577525
2-(2-carboxyethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115544023

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid (CID 112577462) is 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid is CC1(C)Nc2c(cccc2C(=O)O)NC1=O.
What is the InChIKey of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is PMZCJSLQTPEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2)10(16)12-7-5-3-4-6(9(14)15)8(7)13-11/h3-5,13H,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid?
3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 112577462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).