7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline

C12H11ClN2S — CID 115472239

IUPAC7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESClc1ccc2c(c1)NC(c1cccs1)CN2
InChIInChI=1S/C12H11ClN2S/c13-8-3-4-9-10(6-8)15-11(7-14-9)12-2-1-5-16-12/h1-6,11,14-15H,7H2
InChIKeyHXSBHZALTBPBII-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.98
Rot. Bonds1

About 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline

7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115472239) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
PubChem CID115472239
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESClc1ccc2c(c1)NC(c1cccs1)CN2
InChIInChI=1S/C12H11ClN2S/c13-8-3-4-9-10(6-8)15-11(7-14-9)12-2-1-5-16-12/h1-6,11,14-15H,7H2
InChIKeyHXSBHZALTBPBII-UHFFFAOYSA-N
XLogP3.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (CID 115472239) is 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is Clc1ccc2c(c1)NC(c1cccs1)CN2.
What is the InChIKey of 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is HXSBHZALTBPBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-8-3-4-9-10(6-8)15-11(7-14-9)12-2-1-5-16-12/h1-6,11,14-15H,7H2.
What are the key properties of 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 250.75 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115472239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).