(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol

C13H9ClN2OS — CID 107359525

IUPAC(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol
SMILESOC(c1ccc2nccnc2c1)c1sccc1Cl
InChIInChI=1S/C13H9ClN2OS/c14-9-3-6-18-13(9)12(17)8-1-2-10-11(7-8)16-5-4-15-10/h1-7,12,17H
InChIKeyZHXISAXTCWCMDL-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.43
Rot. Bonds2

About (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol

(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol (PubChem CID 107359525) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol
PubChem CID107359525
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol
SMILESOC(c1ccc2nccnc2c1)c1sccc1Cl
InChIInChI=1S/C13H9ClN2OS/c14-9-3-6-18-13(9)12(17)8-1-2-10-11(7-8)16-5-4-15-10/h1-7,12,17H
InChIKeyZHXISAXTCWCMDL-UHFFFAOYSA-N
XLogP3.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
CID 78917699
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
CID 107361966
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
6-[(3-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80642258

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol?
The IUPAC name of (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol (CID 107359525) is (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol is OC(c1ccc2nccnc2c1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol?
The InChIKey is ZHXISAXTCWCMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-9-3-6-18-13(9)12(17)8-1-2-10-11(7-8)16-5-4-15-10/h1-7,12,17H.
What are the key properties of (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol?
(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol has a molecular weight of 276.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol is sourced from PubChem (CID 107359525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).