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

C15H13NOS — CID 79992149

IUPAC(3-methylthiophen-2-yl)-quinolin-2-ylmethanol
SMILESCc1ccsc1C(O)c1ccc2ccccc2n1
InChIInChI=1S/C15H13NOS/c1-10-8-9-18-15(10)14(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-9,14,17H,1H3
InChIKeyWZIQBYHDRRMUDB-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.69
Rot. Bonds2

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

(3-methylthiophen-2-yl)-quinolin-2-ylmethanol (PubChem CID 79992149) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-quinolin-2-ylmethanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-quinolin-2-ylmethanol
PubChem CID79992149
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(3-methylthiophen-2-yl)-quinolin-2-ylmethanol
SMILESCc1ccsc1C(O)c1ccc2ccccc2n1
InChIInChI=1S/C15H13NOS/c1-10-8-9-18-15(10)14(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-9,14,17H,1H3
InChIKeyWZIQBYHDRRMUDB-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-quinolin-2-ylmethanol?
The IUPAC name of (3-methylthiophen-2-yl)-quinolin-2-ylmethanol (CID 79992149) is (3-methylthiophen-2-yl)-quinolin-2-ylmethanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-quinolin-2-ylmethanol?
The canonical SMILES for (3-methylthiophen-2-yl)-quinolin-2-ylmethanol is Cc1ccsc1C(O)c1ccc2ccccc2n1.
What is the InChIKey of (3-methylthiophen-2-yl)-quinolin-2-ylmethanol?
The InChIKey is WZIQBYHDRRMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-8-9-18-15(10)14(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-9,14,17H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-quinolin-2-ylmethanol?
(3-methylthiophen-2-yl)-quinolin-2-ylmethanol has a molecular weight of 255.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-quinolin-2-ylmethanol is sourced from PubChem (CID 79992149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).