2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline

C11H6ClN5O2S — CID 150227781

IUPAC2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline
SMILESO=[N+]([O-])c1cc2nc(Cl)cnc2cc1Sc1ncc[nH]1
InChIInChI=1S/C11H6ClN5O2S/c12-10-5-15-6-4-9(20-11-13-1-2-14-11)8(17(18)19)3-7(6)16-10/h1-5H,(H,13,14)
InChIKeyFUVGUPOJBAZWBY-UHFFFAOYSA-N
MW307.72 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline

2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline (PubChem CID 150227781) has the molecular formula C11H6ClN5O2S and a molecular weight of 307.72 g/mol. Its IUPAC name is 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline.

Molecular Properties

Compound Name2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline
PubChem CID150227781
Molecular FormulaC11H6ClN5O2S
Molecular Weight307.72 g/mol
Exact Mass306.99
IUPAC Name2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline
SMILESO=[N+]([O-])c1cc2nc(Cl)cnc2cc1Sc1ncc[nH]1
InChIInChI=1S/C11H6ClN5O2S/c12-10-5-15-6-4-9(20-11-13-1-2-14-11)8(17(18)19)3-7(6)16-10/h1-5H,(H,13,14)
InChIKeyFUVGUPOJBAZWBY-UHFFFAOYSA-N
XLogP3.07
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole
CID 11323005
6-(1H-imidazol-2-ylsulfanyl)-5-nitropyridine-3-carboxylic acid
CID 107779186
(1S)-1-[5-(1H-imidazol-2-ylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 107783427
[2-(1H-imidazol-2-ylsulfanyl)-5-nitrophenyl]methanol
CID 107783436
2-chloro-7-fluoro-5-nitroquinoxaline
CID 174379231
6,7-dinitroquinoxaline
CID 2724608
4-chloro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779420
potassium 2-nitro-1H-imidazole
CID 23707816
N-ethyl-3-(1H-imidazol-2-ylsulfanyl)-2-nitroaniline
CID 107784897
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline?
The IUPAC name of 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline (CID 150227781) is 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline.
What is the SMILES notation for 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline?
The canonical SMILES for 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline is O=[N+]([O-])c1cc2nc(Cl)cnc2cc1Sc1ncc[nH]1.
What is the InChIKey of 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline?
The InChIKey is FUVGUPOJBAZWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN5O2S/c12-10-5-15-6-4-9(20-11-13-1-2-14-11)8(17(18)19)3-7(6)16-10/h1-5H,(H,13,14).
What are the key properties of 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline?
2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline has a molecular weight of 307.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline is sourced from PubChem (CID 150227781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).