2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid

C16H16N2O2 — CID 175563669

IUPAC2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2NCC1Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)18-13(10-12-6-2-1-3-7-12)11-17-14-8-4-5-9-15(14)18/h1-9,13,17H,10-11H2,(H,19,20)
InChIKeyAWZIPEZUMSJJSG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.21
Rot. Bonds2

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

2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (PubChem CID 175563669) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
PubChem CID175563669
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2NCC1Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)18-13(10-12-6-2-1-3-7-12)11-17-14-8-4-5-9-15(14)18/h1-9,13,17H,10-11H2,(H,19,20)
InChIKeyAWZIPEZUMSJJSG-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 174810540
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
2-[(3-benzyl-4,5-dihydro-3H-1,2,5-benzothiadiazepin-2-yl)oxy]acetamide
CID 69125329
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
N-[11-(5-benzyl-2-oxoimidazolidin-1-yl)-11-oxoundecyl]benzamide
CID 54542729
2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
CID 145328642

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The IUPAC name of 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (CID 175563669) is 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.
What is the SMILES notation for 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The canonical SMILES for 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is O=C(O)N1c2ccccc2NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The InChIKey is AWZIPEZUMSJJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)18-13(10-12-6-2-1-3-7-12)11-17-14-8-4-5-9-15(14)18/h1-9,13,17H,10-11H2,(H,19,20).
What are the key properties of 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is sourced from PubChem (CID 175563669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).