5-isoquinolin-5-ylthiophene-2-carbaldehyde

C14H9NOS — CID 43808666

IUPAC5-isoquinolin-5-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3cnccc23)s1
InChIInChI=1S/C14H9NOS/c16-9-11-4-5-14(17-11)13-3-1-2-10-8-15-7-6-12(10)13/h1-9H
InChIKeyMVHAIIPWRZPBNW-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.78
Rot. Bonds2

About 5-isoquinolin-5-ylthiophene-2-carbaldehyde

5-isoquinolin-5-ylthiophene-2-carbaldehyde (PubChem CID 43808666) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-isoquinolin-5-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-isoquinolin-5-ylthiophene-2-carbaldehyde
PubChem CID43808666
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Name5-isoquinolin-5-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3cnccc23)s1
InChIInChI=1S/C14H9NOS/c16-9-11-4-5-14(17-11)13-3-1-2-10-8-15-7-6-12(10)13/h1-9H
InChIKeyMVHAIIPWRZPBNW-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-isoquinolin-5-ylthiophene-2-carbaldehyde (CID 43808666) is 5-isoquinolin-5-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-isoquinolin-5-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-isoquinolin-5-ylthiophene-2-carbaldehyde is O=Cc1ccc(-c2cccc3cnccc23)s1.
What is the InChIKey of 5-isoquinolin-5-ylthiophene-2-carbaldehyde?
The InChIKey is MVHAIIPWRZPBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NOS/c16-9-11-4-5-14(17-11)13-3-1-2-10-8-15-7-6-12(10)13/h1-9H.
What are the key properties of 5-isoquinolin-5-ylthiophene-2-carbaldehyde?
5-isoquinolin-5-ylthiophene-2-carbaldehyde has a molecular weight of 239.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-5-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 43808666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).