6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline

C22H17N3O3 — CID 18694744

IUPAC6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline
SMILESCc1cc2nc(Oc3ccccc3)c(Oc3ccccc3)nc2c(N=O)c1C
InChIInChI=1S/C22H17N3O3/c1-14-13-18-20(19(25-26)15(14)2)24-22(28-17-11-7-4-8-12-17)21(23-18)27-16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyMLPABVOURNVYML-UHFFFAOYSA-N
MW371.40 g/mol
LogP6.23
Rot. Bonds5

About 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline

6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline (PubChem CID 18694744) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline
PubChem CID18694744
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline
SMILESCc1cc2nc(Oc3ccccc3)c(Oc3ccccc3)nc2c(N=O)c1C
InChIInChI=1S/C22H17N3O3/c1-14-13-18-20(19(25-26)15(14)2)24-22(28-17-11-7-4-8-12-17)21(23-18)27-16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKeyMLPABVOURNVYML-UHFFFAOYSA-N
XLogP6.23
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
4,5,19-trimethyl-10,11-diphenoxy-18-(trifluoromethyl)-3,6,9,12,15,22-hexazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8(13),9,11,14,16(21),17,19-undecaene
CID 118667679
5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
CID 137285330
(3-methyl-2-phenoxyquinolin-6-yl)borinic acid
CID 143877854
4,5,19-trimethyl-10,11-diphenoxy-17-(trifluoromethyl)-3,6,9,12,15,22-hexazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8(13),9,11,14,16,18,20-undecaene
CID 118667675
6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
CID 177209314
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
2,6-dimethyl-4-phenoxybenzenethiol
CID 71052663
1,2,4-trimethyl-3,5-diphenoxybenzene
CID 141017491
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375215

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline?
The IUPAC name of 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline (CID 18694744) is 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline.
What is the SMILES notation for 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline?
The canonical SMILES for 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline is Cc1cc2nc(Oc3ccccc3)c(Oc3ccccc3)nc2c(N=O)c1C.
What is the InChIKey of 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline?
The InChIKey is MLPABVOURNVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-13-18-20(19(25-26)15(14)2)24-22(28-17-11-7-4-8-12-17)21(23-18)27-16-9-5-3-6-10-16/h3-13H,1-2H3.
What are the key properties of 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline?
6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline has a molecular weight of 371.40 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline is sourced from PubChem (CID 18694744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).