2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine

C16H10ClN3 — CID 142701874

IUPAC2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine
SMILESNc1ccc2nc(Cl)c(C#Cc3ccccc3)nc2c1
InChIInChI=1S/C16H10ClN3/c17-16-14(8-6-11-4-2-1-3-5-11)19-15-10-12(18)7-9-13(15)20-16/h1-5,7,9-10H,18H2
InChIKeySJFGYOYUUXCDRP-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.27
Rot. Bonds

About 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine

2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine (PubChem CID 142701874) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine.

Molecular Properties

Compound Name2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine
PubChem CID142701874
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine
SMILESNc1ccc2nc(Cl)c(C#Cc3ccccc3)nc2c1
InChIInChI=1S/C16H10ClN3/c17-16-14(8-6-11-4-2-1-3-5-11)19-15-10-12(18)7-9-13(15)20-16/h1-5,7,9-10H,18H2
InChIKeySJFGYOYUUXCDRP-UHFFFAOYSA-N
XLogP3.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine?
The IUPAC name of 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine (CID 142701874) is 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine.
What is the SMILES notation for 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine?
The canonical SMILES for 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine is Nc1ccc2nc(Cl)c(C#Cc3ccccc3)nc2c1.
What is the InChIKey of 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine?
The InChIKey is SJFGYOYUUXCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-16-14(8-6-11-4-2-1-3-5-11)19-15-10-12(18)7-9-13(15)20-16/h1-5,7,9-10H,18H2.
What are the key properties of 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine?
2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine has a molecular weight of 279.73 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-phenylethynyl)quinoxalin-6-amine is sourced from PubChem (CID 142701874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).