2-[2-(2-chlorophenyl)ethyl]quinoxaline

C16H13ClN2 — CID 174432504

IUPAC2-[2-(2-chlorophenyl)ethyl]quinoxaline
SMILESClc1ccccc1CCc1cnc2ccccc2n1
InChIInChI=1S/C16H13ClN2/c17-14-6-2-1-5-12(14)9-10-13-11-18-15-7-3-4-8-16(15)19-13/h1-8,11H,9-10H2
InChIKeyDNWTYDVUVFJFCV-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.07
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethyl]quinoxaline

2-[2-(2-chlorophenyl)ethyl]quinoxaline (PubChem CID 174432504) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]quinoxaline.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]quinoxaline
PubChem CID174432504
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-[2-(2-chlorophenyl)ethyl]quinoxaline
SMILESClc1ccccc1CCc1cnc2ccccc2n1
InChIInChI=1S/C16H13ClN2/c17-14-6-2-1-5-12(14)9-10-13-11-18-15-7-3-4-8-16(15)19-13/h1-8,11H,9-10H2
InChIKeyDNWTYDVUVFJFCV-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
2,4,5-trichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43759066
2-(2-quinoxalin-2-ylethoxy)ethanol
CID 90739354
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
CID 54755363
2-[2-(3H-indol-2-yl)ethyl]quinoxaline
CID 157294886
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
1-cyclopropyl-2-quinoxalin-2-ylethanone
CID 63355169
2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357768
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
1,1'-biphenyl;2-chloroquinoxaline
CID 174991780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]quinoxaline?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]quinoxaline (CID 174432504) is 2-[2-(2-chlorophenyl)ethyl]quinoxaline.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]quinoxaline?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]quinoxaline is Clc1ccccc1CCc1cnc2ccccc2n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]quinoxaline?
The InChIKey is DNWTYDVUVFJFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-6-2-1-5-12(14)9-10-13-11-18-15-7-3-4-8-16(15)19-13/h1-8,11H,9-10H2.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]quinoxaline?
2-[2-(2-chlorophenyl)ethyl]quinoxaline has a molecular weight of 268.75 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]quinoxaline is sourced from PubChem (CID 174432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).