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

C14H12N2OS — CID 78917699

IUPAC(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
SMILESCc1ccsc1C(O)c1ccc2nccnc2c1
InChIInChI=1S/C14H12N2OS/c1-9-4-7-18-14(9)13(17)10-2-3-11-12(8-10)16-6-5-15-11/h2-8,13,17H,1H3
InChIKeyUHQWAGKLUXIRGS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.08
Rot. Bonds2

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

(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol (PubChem CID 78917699) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
PubChem CID78917699
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
SMILESCc1ccsc1C(O)c1ccc2nccnc2c1
InChIInChI=1S/C14H12N2OS/c1-9-4-7-18-14(9)13(17)10-2-3-11-12(8-10)16-6-5-15-11/h2-8,13,17H,1H3
InChIKeyUHQWAGKLUXIRGS-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

(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol
CID 107359525
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanol
CID 114988226
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol?
The IUPAC name of (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol (CID 78917699) is (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol?
The canonical SMILES for (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol is Cc1ccsc1C(O)c1ccc2nccnc2c1.
What is the InChIKey of (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol?
The InChIKey is UHQWAGKLUXIRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-4-7-18-14(9)13(17)10-2-3-11-12(8-10)16-6-5-15-11/h2-8,13,17H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol?
(3-methylthiophen-2-yl)-quinoxalin-6-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 (3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol is sourced from PubChem (CID 78917699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).