6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine

C15H14ClN3OS — CID 123542484

IUPAC6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cccs3)nc2cc1CCCl
InChIInChI=1S/C15H14ClN3OS/c1-20-12-8-11-10(7-9(12)4-5-16)18-14(15(17)19-11)13-3-2-6-21-13/h2-3,6-8H,4-5H2,1H3,(H2,17,19)
InChIKeyKMPIEGPAUHOXBA-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.73
Rot. Bonds4

About 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine

6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine (PubChem CID 123542484) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
PubChem CID123542484
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cccs3)nc2cc1CCCl
InChIInChI=1S/C15H14ClN3OS/c1-20-12-8-11-10(7-9(12)4-5-16)18-14(15(17)19-11)13-3-2-6-21-13/h2-3,6-8H,4-5H2,1H3,(H2,17,19)
InChIKeyKMPIEGPAUHOXBA-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The IUPAC name of 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine (CID 123542484) is 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine.
What is the SMILES notation for 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The canonical SMILES for 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine is COc1cc2nc(N)c(-c3cccs3)nc2cc1CCCl.
What is the InChIKey of 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The InChIKey is KMPIEGPAUHOXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-12-8-11-10(7-9(12)4-5-16)18-14(15(17)19-11)13-3-2-6-21-13/h2-3,6-8H,4-5H2,1H3,(H2,17,19).
What are the key properties of 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine is sourced from PubChem (CID 123542484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).