2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline

C17H15ClN2 — CID 174736157

IUPAC2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline
SMILESCc1ccc(C(C)Cl)c(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15ClN2/c1-11-7-8-13(12(2)18)14(9-11)17-10-19-15-5-3-4-6-16(15)20-17/h3-10,12H,1-2H3
InChIKeyHLCTYJDSSQGPAE-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.91
Rot. Bonds2

About 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline

2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline (PubChem CID 174736157) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline
PubChem CID174736157
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline
SMILESCc1ccc(C(C)Cl)c(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C17H15ClN2/c1-11-7-8-13(12(2)18)14(9-11)17-10-19-15-5-3-4-6-16(15)20-17/h3-10,12H,1-2H3
InChIKeyHLCTYJDSSQGPAE-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
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-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline?
The IUPAC name of 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline (CID 174736157) is 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline.
What is the SMILES notation for 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline?
The canonical SMILES for 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline is Cc1ccc(C(C)Cl)c(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline?
The InChIKey is HLCTYJDSSQGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-7-8-13(12(2)18)14(9-11)17-10-19-15-5-3-4-6-16(15)20-17/h3-10,12H,1-2H3.
What are the key properties of 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline?
2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline has a molecular weight of 282.77 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-5-methylphenyl]quinoxaline is sourced from PubChem (CID 174736157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).