3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid

C11H14N2O2 — CID 115095893

IUPAC3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
SMILESCC1(C)CNc2cccc(C(=O)O)c2N1
InChIInChI=1S/C11H14N2O2/c1-11(2)6-12-8-5-3-4-7(10(14)15)9(8)13-11/h3-5,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyZCKBABKBURZRIK-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.00
Rot. Bonds1

About 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid

3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid (PubChem CID 115095893) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
PubChem CID115095893
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
SMILESCC1(C)CNc2cccc(C(=O)O)c2N1
InChIInChI=1S/C11H14N2O2/c1-11(2)6-12-8-5-3-4-7(10(14)15)9(8)13-11/h3-5,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyZCKBABKBURZRIK-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
CID 112577462
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
CID 112577491
2,2-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylic acid
CID 115096554
4-oxo-3-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 113332352
spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
CID 139410820
methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1H-1,5-benzodiazepine-6-carboxylate
CID 115098711
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
(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
methyl spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]-6-carboxylate
CID 115100140
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]-6-carboxylic acid
CID 115100054

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid (CID 115095893) is 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid is CC1(C)CNc2cccc(C(=O)O)c2N1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid?
The InChIKey is ZCKBABKBURZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)6-12-8-5-3-4-7(10(14)15)9(8)13-11/h3-5,12-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid?
3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid is sourced from PubChem (CID 115095893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).