6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline

C10H11Cl2N3O2 — CID 10891110

IUPAC6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline
SMILESCN1CCN(C)c2c1cc(Cl)c(Cl)c2[N+](=O)[O-]
InChIInChI=1S/C10H11Cl2N3O2/c1-13-3-4-14(2)9-7(13)5-6(11)8(12)10(9)15(16)17/h5H,3-4H2,1-2H3
InChIKeyHOOWAPOYMMHBKQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.79
Rot. Bonds1

About 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline

6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline (PubChem CID 10891110) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline
PubChem CID10891110
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline
SMILESCN1CCN(C)c2c1cc(Cl)c(Cl)c2[N+](=O)[O-]
InChIInChI=1S/C10H11Cl2N3O2/c1-13-3-4-14(2)9-7(13)5-6(11)8(12)10(9)15(16)17/h5H,3-4H2,1-2H3
InChIKeyHOOWAPOYMMHBKQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.79
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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline?
The IUPAC name of 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline (CID 10891110) is 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline.
What is the SMILES notation for 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline?
The canonical SMILES for 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline is CN1CCN(C)c2c1cc(Cl)c(Cl)c2[N+](=O)[O-].
What is the InChIKey of 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline?
The InChIKey is HOOWAPOYMMHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-13-3-4-14(2)9-7(13)5-6(11)8(12)10(9)15(16)17/h5H,3-4H2,1-2H3.
What are the key properties of 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline?
6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline has a molecular weight of 276.12 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,4-dimethyl-5-nitro-2,3-dihydroquinoxaline is sourced from PubChem (CID 10891110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).