(2-propylsulfanylquinolin-3-yl)methanol

C13H15NOS — CID 63813210

IUPAC(2-propylsulfanylquinolin-3-yl)methanol
SMILESCCCSc1nc2ccccc2cc1CO
InChIInChI=1S/C13H15NOS/c1-2-7-16-13-11(9-15)8-10-5-3-4-6-12(10)14-13/h3-6,8,15H,2,7,9H2,1H3
InChIKeyBBFYDBWNKJXJIZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.23
Rot. Bonds4

About (2-propylsulfanylquinolin-3-yl)methanol

(2-propylsulfanylquinolin-3-yl)methanol (PubChem CID 63813210) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (2-propylsulfanylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-propylsulfanylquinolin-3-yl)methanol
PubChem CID63813210
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(2-propylsulfanylquinolin-3-yl)methanol
SMILESCCCSc1nc2ccccc2cc1CO
InChIInChI=1S/C13H15NOS/c1-2-7-16-13-11(9-15)8-10-5-3-4-6-12(10)14-13/h3-6,8,15H,2,7,9H2,1H3
InChIKeyBBFYDBWNKJXJIZ-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propylsulfanylquinolin-3-yl)methanol?
The IUPAC name of (2-propylsulfanylquinolin-3-yl)methanol (CID 63813210) is (2-propylsulfanylquinolin-3-yl)methanol.
What is the SMILES notation for (2-propylsulfanylquinolin-3-yl)methanol?
The canonical SMILES for (2-propylsulfanylquinolin-3-yl)methanol is CCCSc1nc2ccccc2cc1CO.
What is the InChIKey of (2-propylsulfanylquinolin-3-yl)methanol?
The InChIKey is BBFYDBWNKJXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-7-16-13-11(9-15)8-10-5-3-4-6-12(10)14-13/h3-6,8,15H,2,7,9H2,1H3.
What are the key properties of (2-propylsulfanylquinolin-3-yl)methanol?
(2-propylsulfanylquinolin-3-yl)methanol has a molecular weight of 233.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfanylquinolin-3-yl)methanol is sourced from PubChem (CID 63813210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).