2-amino-1-quinoxalin-2-ylpropan-1-one

C11H11N3O — CID 84670100

IUPAC2-amino-1-quinoxalin-2-ylpropan-1-one
SMILESCC(N)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C11H11N3O/c1-7(12)11(15)10-6-13-8-4-2-3-5-9(8)14-10/h2-7H,12H2,1H3
InChIKeyQBKQBQCNIHGTFP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-1-quinoxalin-2-ylpropan-1-one

2-amino-1-quinoxalin-2-ylpropan-1-one (PubChem CID 84670100) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-1-quinoxalin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-quinoxalin-2-ylpropan-1-one
PubChem CID84670100
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-amino-1-quinoxalin-2-ylpropan-1-one
SMILESCC(N)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C11H11N3O/c1-7(12)11(15)10-6-13-8-4-2-3-5-9(8)14-10/h2-7H,12H2,1H3
InChIKeyQBKQBQCNIHGTFP-UHFFFAOYSA-N
XLogP1.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
ethyl quinoxaline-2-carboxylate
CID 582701
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
1-quinoxalin-2-ylbutan-1-one
CID 14895791
2-amino-1-(5-chloro-6-methylpyrazin-2-yl)propan-1-one
CID 112709848
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
carbonic acid;quinoxalin-2-amine
CID 174967362
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-quinoxalin-2-ylpropan-1-one?
The IUPAC name of 2-amino-1-quinoxalin-2-ylpropan-1-one (CID 84670100) is 2-amino-1-quinoxalin-2-ylpropan-1-one.
What is the SMILES notation for 2-amino-1-quinoxalin-2-ylpropan-1-one?
The canonical SMILES for 2-amino-1-quinoxalin-2-ylpropan-1-one is CC(N)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of 2-amino-1-quinoxalin-2-ylpropan-1-one?
The InChIKey is QBKQBQCNIHGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7(12)11(15)10-6-13-8-4-2-3-5-9(8)14-10/h2-7H,12H2,1H3.
What are the key properties of 2-amino-1-quinoxalin-2-ylpropan-1-one?
2-amino-1-quinoxalin-2-ylpropan-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-quinoxalin-2-ylpropan-1-one is sourced from PubChem (CID 84670100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).