2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline

C17H15ClN2 — CID 89486860

IUPAC2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
SMILESCc1cccc2nc(C(C)Cl)c(-c3ccccc3)nc12
InChIInChI=1S/C17H15ClN2/c1-11-7-6-10-14-15(11)20-17(16(19-14)12(2)18)13-8-4-3-5-9-13/h3-10,12H,1-2H3
InChIKeyGGEKYMRKCDHMJQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.91
Rot. Bonds2

About 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline

2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline (PubChem CID 89486860) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
PubChem CID89486860
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
SMILESCc1cccc2nc(C(C)Cl)c(-c3ccccc3)nc12
InChIInChI=1S/C17H15ClN2/c1-11-7-6-10-14-15(11)20-17(16(19-14)12(2)18)13-8-4-3-5-9-13/h3-10,12H,1-2H3
InChIKeyGGEKYMRKCDHMJQ-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-(1-chloroethyl)-5-methyl-3-phenylquinoxaline?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline (CID 89486860) is 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline is Cc1cccc2nc(C(C)Cl)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline?
The InChIKey is GGEKYMRKCDHMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-7-6-10-14-15(11)20-17(16(19-14)12(2)18)13-8-4-3-5-9-13/h3-10,12H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline?
2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline 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-(1-chloroethyl)-5-methyl-3-phenylquinoxaline is sourced from PubChem (CID 89486860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).