ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate

C13H16N2O4 — CID 13155666

IUPACethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
SMILESCCOC(=O)CC1Nc2cc(OC)ccc2NC1=O
InChIInChI=1S/C13H16N2O4/c1-3-19-12(16)7-11-13(17)15-9-5-4-8(18-2)6-10(9)14-11/h4-6,11,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyQNJMEJPXFCHXLC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.38
Rot. Bonds4

About ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate

ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate (PubChem CID 13155666) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
PubChem CID13155666
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
SMILESCCOC(=O)CC1Nc2cc(OC)ccc2NC1=O
InChIInChI=1S/C13H16N2O4/c1-3-19-12(16)7-11-13(17)15-9-5-4-8(18-2)6-10(9)14-11/h4-6,11,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyQNJMEJPXFCHXLC-UHFFFAOYSA-N
XLogP1.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
ethyl 2-(5-bromo-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
CID 82184633
ethyl 2-(7-bromo-5-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
CID 82184634
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 71363678
ethyl 2-(6-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetate
CID 91148825
ethyl 2-(7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 10333090
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate?
The IUPAC name of ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate (CID 13155666) is ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate?
The canonical SMILES for ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate is CCOC(=O)CC1Nc2cc(OC)ccc2NC1=O.
What is the InChIKey of ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate?
The InChIKey is QNJMEJPXFCHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-19-12(16)7-11-13(17)15-9-5-4-8(18-2)6-10(9)14-11/h4-6,11,14H,3,7H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate?
ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate has a molecular weight of 264.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate is sourced from PubChem (CID 13155666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).