1-isoquinolin-4-yl-2-thiophen-3-ylethanol

C15H13NOS — CID 104504569

IUPAC1-isoquinolin-4-yl-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C15H13NOS/c17-15(7-11-5-6-18-10-11)14-9-16-8-12-3-1-2-4-13(12)14/h1-6,8-10,15,17H,7H2
InChIKeyGZCWCKSTQYXQPF-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.57
Rot. Bonds3

About 1-isoquinolin-4-yl-2-thiophen-3-ylethanol

1-isoquinolin-4-yl-2-thiophen-3-ylethanol (PubChem CID 104504569) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-thiophen-3-ylethanol
PubChem CID104504569
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-isoquinolin-4-yl-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C15H13NOS/c17-15(7-11-5-6-18-10-11)14-9-16-8-12-3-1-2-4-13(12)14/h1-6,8-10,15,17H,7H2
InChIKeyGZCWCKSTQYXQPF-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
CID 63520029
2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
CID 104504582
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105196792
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-thiophen-3-ylethanol?
The IUPAC name of 1-isoquinolin-4-yl-2-thiophen-3-ylethanol (CID 104504569) is 1-isoquinolin-4-yl-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-thiophen-3-ylethanol?
The canonical SMILES for 1-isoquinolin-4-yl-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-thiophen-3-ylethanol?
The InChIKey is GZCWCKSTQYXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-15(7-11-5-6-18-10-11)14-9-16-8-12-3-1-2-4-13(12)14/h1-6,8-10,15,17H,7H2.
What are the key properties of 1-isoquinolin-4-yl-2-thiophen-3-ylethanol?
1-isoquinolin-4-yl-2-thiophen-3-ylethanol has a molecular weight of 255.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-thiophen-3-ylethanol is sourced from PubChem (CID 104504569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).