2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine

C17H16N2S — CID 11630541

IUPAC2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
SMILESCN1Cc2ccccc2C(c2cc3ncccc3s2)C1
InChIInChI=1S/C17H16N2S/c1-19-10-12-5-2-3-6-13(12)14(11-19)17-9-15-16(20-17)7-4-8-18-15/h2-9,14H,10-11H2,1H3
InChIKeyHYXBNZIRJVKIPI-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.87
Rot. Bonds1

About 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine

2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine (PubChem CID 11630541) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
PubChem CID11630541
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
SMILESCN1Cc2ccccc2C(c2cc3ncccc3s2)C1
InChIInChI=1S/C17H16N2S/c1-19-10-12-5-2-3-6-13(12)14(11-19)17-9-15-16(20-17)7-4-8-18-15/h2-9,14H,10-11H2,1H3
InChIKeyHYXBNZIRJVKIPI-UHFFFAOYSA-N
XLogP3.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine?
The IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine (CID 11630541) is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine is CN1Cc2ccccc2C(c2cc3ncccc3s2)C1.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine?
The InChIKey is HYXBNZIRJVKIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-19-10-12-5-2-3-6-13(12)14(11-19)17-9-15-16(20-17)7-4-8-18-15/h2-9,14H,10-11H2,1H3.
What are the key properties of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine?
2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine has a molecular weight of 280.40 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 11630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).