2-(chloromethyl)-1,2-dihydroquinoxaline

C9H9ClN2 — CID 173100773

IUPAC2-(chloromethyl)-1,2-dihydroquinoxaline
SMILESClCC1C=Nc2ccccc2N1
InChIInChI=1S/C9H9ClN2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6-7,12H,5H2
InChIKeyVWLLHZSARQXBIY-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.42
Rot. Bonds1

About 2-(chloromethyl)-1,2-dihydroquinoxaline

2-(chloromethyl)-1,2-dihydroquinoxaline (PubChem CID 173100773) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 2-(chloromethyl)-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name2-(chloromethyl)-1,2-dihydroquinoxaline
PubChem CID173100773
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name2-(chloromethyl)-1,2-dihydroquinoxaline
SMILESClCC1C=Nc2ccccc2N1
InChIInChI=1S/C9H9ClN2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6-7,12H,5H2
InChIKeyVWLLHZSARQXBIY-UHFFFAOYSA-N
XLogP2.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1,2-dihydroquinoxaline?
The IUPAC name of 2-(chloromethyl)-1,2-dihydroquinoxaline (CID 173100773) is 2-(chloromethyl)-1,2-dihydroquinoxaline.
What is the SMILES notation for 2-(chloromethyl)-1,2-dihydroquinoxaline?
The canonical SMILES for 2-(chloromethyl)-1,2-dihydroquinoxaline is ClCC1C=Nc2ccccc2N1.
What is the InChIKey of 2-(chloromethyl)-1,2-dihydroquinoxaline?
The InChIKey is VWLLHZSARQXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6-7,12H,5H2.
What are the key properties of 2-(chloromethyl)-1,2-dihydroquinoxaline?
2-(chloromethyl)-1,2-dihydroquinoxaline has a molecular weight of 180.64 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,2-dihydroquinoxaline is sourced from PubChem (CID 173100773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).