ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate

C13H14N2O4 — CID 70648213

IUPACethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C13H14N2O4/c1-3-19-13(17)8-15-11-6-9(18-2)4-5-10(11)14-7-12(15)16/h4-7H,3,8H2,1-2H3
InChIKeyMBPNNZXBIOPOCL-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate

ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate (PubChem CID 70648213) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
PubChem CID70648213
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C13H14N2O4/c1-3-19-13(17)8-15-11-6-9(18-2)4-5-10(11)14-7-12(15)16/h4-7H,3,8H2,1-2H3
InChIKeyMBPNNZXBIOPOCL-UHFFFAOYSA-N
XLogP0.97
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1-prop-2-enylquinoxalin-2-one
CID 68810513
ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
CID 19808448
1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one
CID 122448283
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate
CID 4152859
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
CID 18771368
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
CID 59398367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate?
The IUPAC name of ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate (CID 70648213) is ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate is CCOC(=O)Cn1c(=O)cnc2ccc(OC)cc21.
What is the InChIKey of ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate?
The InChIKey is MBPNNZXBIOPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-19-13(17)8-15-11-6-9(18-2)4-5-10(11)14-7-12(15)16/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate?
ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate has a molecular weight of 262.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methoxy-2-oxoquinoxalin-1-yl)acetate is sourced from PubChem (CID 70648213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).