(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol

C14H12N2OS — CID 107357767

IUPAC(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
SMILESCc1sccc1C(O)c1cnc2ccccc2n1
InChIInChI=1S/C14H12N2OS/c1-9-10(6-7-18-9)14(17)13-8-15-11-4-2-3-5-12(11)16-13/h2-8,14,17H,1H3
InChIKeyOGGMXJFJFCNBGG-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.08
Rot. Bonds2

About (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol

(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol (PubChem CID 107357767) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
PubChem CID107357767
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
SMILESCc1sccc1C(O)c1cnc2ccccc2n1
InChIInChI=1S/C14H12N2OS/c1-9-10(6-7-18-9)14(17)13-8-15-11-4-2-3-5-12(11)16-13/h2-8,14,17H,1H3
InChIKeyOGGMXJFJFCNBGG-UHFFFAOYSA-N
XLogP3.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
CID 102832467
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
CID 107357691
(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
CID 102524344
(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521768
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
(3-chloro-2-pyridinyl)-(2-methylthiophen-3-yl)methanol
CID 103443385
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
2,3-dihydrofuran-5-yl(quinoxalin-2-yl)methanol
CID 107357766
3-quinoxalin-2-ylbutan-2-one
CID 63196763
1H-imidazol-2-yl-(2-methylthiophen-3-yl)methanol
CID 102831477

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol?
The IUPAC name of (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol (CID 107357767) is (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol?
The canonical SMILES for (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol is Cc1sccc1C(O)c1cnc2ccccc2n1.
What is the InChIKey of (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol?
The InChIKey is OGGMXJFJFCNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-10(6-7-18-9)14(17)13-8-15-11-4-2-3-5-12(11)16-13/h2-8,14,17H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol?
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol has a molecular weight of 256.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol is sourced from PubChem (CID 107357767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).