ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate

C18H17N3O3 — CID 832829

IUPACethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
SMILESCCOC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H17N3O3/c1-2-24-16(22)11-19-13-8-4-3-7-12(13)17-18(23)21-15-10-6-5-9-14(15)20-17/h3-10,19H,2,11H2,1H3,(H,21,23)
InChIKeyOMLCFLFIALEGPD-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate

ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate (PubChem CID 832829) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
PubChem CID832829
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
SMILESCCOC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H17N3O3/c1-2-24-16(22)11-19-13-8-4-3-7-12(13)17-18(23)21-15-10-6-5-9-14(15)20-17/h3-10,19H,2,11H2,1H3,(H,21,23)
InChIKeyOMLCFLFIALEGPD-UHFFFAOYSA-N
XLogP2.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
CID 3481617
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
CID 71779729
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
3-[2-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]-1H-quinoxalin-2-one
CID 4029329
ethyl 2-(2-ethylanilino)acetate
CID 28583397
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate?
The IUPAC name of ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate (CID 832829) is ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate?
The canonical SMILES for ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate is CCOC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate?
The InChIKey is OMLCFLFIALEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-16(22)11-19-13-8-4-3-7-12(13)17-18(23)21-15-10-6-5-9-14(15)20-17/h3-10,19H,2,11H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate?
ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate has a molecular weight of 323.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate is sourced from PubChem (CID 832829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).