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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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
4,4-Diphenyl-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazine
CID 10688467
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620

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).