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4784-02-5 | 2,3-DIHYDROXY-6,7-DIMETHOXYQUINOXALINE
CAS No: 4784-02-5 Catalog No: AG003FJ8 MDL No:MFCD04038944
Product Description
Catalog Number:
AG003FJ8
Chemical Name:
2,3-DIHYDROXY-6,7-DIMETHOXYQUINOXALINE
CAS Number:
4784-02-5
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD04038944
IUPAC Name:
6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione
InChI:
InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChI Key:
AVEIMNFUPXGCJQ-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(=O)c(=O)[nH]c2cc1OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| CoMFA and homology-based models of the glycine binding site of N-methyl-d-aspartate receptor. | Journal of medicinal chemistry 20030424 |
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