3-ethyl-2-methyl-6-nitroquinoxaline

C11H11N3O2 — CID 142123651

IUPAC3-ethyl-2-methyl-6-nitroquinoxaline
SMILESCCc1nc2cc([N+](=O)[O-])ccc2nc1C
InChIInChI=1S/C11H11N3O2/c1-3-9-7(2)12-10-5-4-8(14(15)16)6-11(10)13-9/h4-6H,3H2,1-2H3
InChIKeyFINMVPNSCDSKMD-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.41
Rot. Bonds2

About 3-ethyl-2-methyl-6-nitroquinoxaline

3-ethyl-2-methyl-6-nitroquinoxaline (PubChem CID 142123651) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-nitroquinoxaline.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-nitroquinoxaline
PubChem CID142123651
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-ethyl-2-methyl-6-nitroquinoxaline
SMILESCCc1nc2cc([N+](=O)[O-])ccc2nc1C
InChIInChI=1S/C11H11N3O2/c1-3-9-7(2)12-10-5-4-8(14(15)16)6-11(10)13-9/h4-6H,3H2,1-2H3
InChIKeyFINMVPNSCDSKMD-UHFFFAOYSA-N
XLogP2.41
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
2,4-diethyl-6-nitro-3-propylquinoline
CID 125452460
3-methyl-7-nitro-1,4-benzodiazepin-2-one
CID 54061398
(E)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135403093
(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135481380
ethyl 2-methyl-7-nitroquinoline-3-carboxylate
CID 13057616
3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline
CID 170582101
2,3-bis(3,5-dimethylpyrazol-1-yl)-6-nitroquinoxaline
CID 1249564
4-[5-[6-nitro-3-[5-(3-oxobutyl)-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]butan-2-one
CID 25214338
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
2-ethyl-5-nitrophenol
CID 18980077
ethane;6-nitroquinoxaline
CID 143926485

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-nitroquinoxaline?
The IUPAC name of 3-ethyl-2-methyl-6-nitroquinoxaline (CID 142123651) is 3-ethyl-2-methyl-6-nitroquinoxaline.
What is the SMILES notation for 3-ethyl-2-methyl-6-nitroquinoxaline?
The canonical SMILES for 3-ethyl-2-methyl-6-nitroquinoxaline is CCc1nc2cc([N+](=O)[O-])ccc2nc1C.
What is the InChIKey of 3-ethyl-2-methyl-6-nitroquinoxaline?
The InChIKey is FINMVPNSCDSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-3-9-7(2)12-10-5-4-8(14(15)16)6-11(10)13-9/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-6-nitroquinoxaline?
3-ethyl-2-methyl-6-nitroquinoxaline has a molecular weight of 217.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-nitroquinoxaline is sourced from PubChem (CID 142123651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).