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

C12H11BrN2S — CID 115285777

IUPAC7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1ccc2c(c1)NC(c1cccs1)CN2
InChIInChI=1S/C12H11BrN2S/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
InChIKeyLXSNEDMPJTXJME-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.09
Rot. Bonds1

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

7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115285777) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
PubChem CID115285777
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1ccc2c(c1)NC(c1cccs1)CN2
InChIInChI=1S/C12H11BrN2S/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
InChIKeyLXSNEDMPJTXJME-UHFFFAOYSA-N
XLogP4.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285794
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
(2S)-2-thiophen-2-ylaziridine
CID 55263035
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 115285789
3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
CID 79434668
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
2-methyl-5-thiophen-2-yl-1,4-oxazepane
CID 83218118
5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
CID 134097067

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (CID 115285777) is 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is Brc1ccc2c(c1)NC(c1cccs1)CN2.
What is the InChIKey of 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is LXSNEDMPJTXJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/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-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 295.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115285777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).