[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate

C19H17N3O3 — CID 27737574

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H17N3O3/c1-22(2)18(23)17(13-8-4-3-5-9-13)25-19(24)16-12-20-14-10-6-7-11-15(14)21-16/h3-12,17H,1-2H3/t17-/m0/s1
InChIKeyABYGFDZOBFNCMT-KRWDZBQOSA-N
MW335.36 g/mol
LogP2.62
Rot. Bonds4

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate (PubChem CID 27737574) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate
PubChem CID27737574
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H17N3O3/c1-22(2)18(23)17(13-8-4-3-5-9-13)25-19(24)16-12-20-14-10-6-7-11-15(14)21-16/h3-12,17H,1-2H3/t17-/m0/s1
InChIKeyABYGFDZOBFNCMT-KRWDZBQOSA-N
XLogP2.62
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
CID 41074424
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
ethyl quinoxaline-2-carboxylate
CID 582701
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
CID 9415083
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 46825699
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785035
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785033
[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 42895795
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate (CID 27737574) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate is CN(C)C(=O)[C@@H](OC(=O)c1cnc2ccccc2n1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate?
The InChIKey is ABYGFDZOBFNCMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22(2)18(23)17(13-8-4-3-5-9-13)25-19(24)16-12-20-14-10-6-7-11-15(14)21-16/h3-12,17H,1-2H3/t17-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 27737574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).