isoquinolin-1-yl(thiophen-2-yl)methanol

C14H11NOS — CID 2999753

IUPACisoquinolin-1-yl(thiophen-2-yl)methanol
SMILESOC(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H
InChIKeyJTOLXTYEZMNSNR-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.38
Rot. Bonds2

About isoquinolin-1-yl(thiophen-2-yl)methanol

isoquinolin-1-yl(thiophen-2-yl)methanol (PubChem CID 2999753) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is isoquinolin-1-yl(thiophen-2-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-1-yl(thiophen-2-yl)methanol
PubChem CID2999753
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Nameisoquinolin-1-yl(thiophen-2-yl)methanol
SMILESOC(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H
InChIKeyJTOLXTYEZMNSNR-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(thiophen-2-yl)methanol?
The IUPAC name of isoquinolin-1-yl(thiophen-2-yl)methanol (CID 2999753) is isoquinolin-1-yl(thiophen-2-yl)methanol.
What is the SMILES notation for isoquinolin-1-yl(thiophen-2-yl)methanol?
The canonical SMILES for isoquinolin-1-yl(thiophen-2-yl)methanol is OC(c1cccs1)c1nccc2ccccc12.
What is the InChIKey of isoquinolin-1-yl(thiophen-2-yl)methanol?
The InChIKey is JTOLXTYEZMNSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9,14,16H.
What are the key properties of isoquinolin-1-yl(thiophen-2-yl)methanol?
isoquinolin-1-yl(thiophen-2-yl)methanol has a molecular weight of 241.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl(thiophen-2-yl)methanol is sourced from PubChem (CID 2999753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).