ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate

C12H10Cl2N2O3 — CID 19808448

IUPACethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3
InChIKeyWMCGDKLQARTVJW-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.27
Rot. Bonds3

About ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate

ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate (PubChem CID 19808448) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
PubChem CID19808448
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Nameethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3
InChIKeyWMCGDKLQARTVJW-UHFFFAOYSA-N
XLogP2.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
CID 70648213
ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
CID 167253717
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
ethyl 2-(3-chloro-6-methyl-2-oxopyrazin-1-yl)acetate;phosphoryl trichloride
CID 158383302
ethyl 2-[4,6-dichloro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203814
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
ethyl 4-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171897131
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
ethyl 2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 86719804
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]acetate
CID 79302535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The IUPAC name of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate (CID 19808448) is ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate is CCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21.
What is the InChIKey of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The InChIKey is WMCGDKLQARTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate has a molecular weight of 301.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate is sourced from PubChem (CID 19808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).