1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

C16H16N2O2 — CID 117006991

IUPAC1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCCN2Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)13-6-7-15-14(10-13)17-8-9-18(15)11-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2,(H,19,20)
InChIKeyQGQRORDLBGRVSU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.82
Rot. Bonds3

About 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid

1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid (PubChem CID 117006991) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
PubChem CID117006991
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCCN2Cc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(20)13-6-7-15-14(10-13)17-8-9-18(15)11-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2,(H,19,20)
InChIKeyQGQRORDLBGRVSU-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyanomethyl)-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117031262
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 164652934
1-(3-oxobutyl)-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117031268
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
CID 115311326
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
4-[2-(methylamino)ethyl]-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030644
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
2-(3,4-dihydro-2H-quinoxalin-1-yl)-N-ethyl-N-phenylacetamide
CID 83510562

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid (CID 117006991) is 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid is O=C(O)c1ccc2c(c1)NCCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
The InChIKey is QGQRORDLBGRVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)13-6-7-15-14(10-13)17-8-9-18(15)11-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2,(H,19,20).
What are the key properties of 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid?
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 117006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).