2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine

C19H19N3S — CID 135152778

IUPAC2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine
SMILESCC1(C)N=C(c2cnc3sccc3n2)c2ccccc2C1(C)C
InChIInChI=1S/C19H19N3S/c1-18(2)13-8-6-5-7-12(13)16(22-19(18,3)4)15-11-20-17-14(21-15)9-10-23-17/h5-11H,1-4H3
InChIKeyXENGIHVGXVMLGL-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.60
Rot. Bonds1

About 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine

2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine (PubChem CID 135152778) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine
PubChem CID135152778
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine
SMILESCC1(C)N=C(c2cnc3sccc3n2)c2ccccc2C1(C)C
InChIInChI=1S/C19H19N3S/c1-18(2)13-8-6-5-7-12(13)16(22-19(18,3)4)15-11-20-17-14(21-15)9-10-23-17/h5-11H,1-4H3
InChIKeyXENGIHVGXVMLGL-UHFFFAOYSA-N
XLogP4.60
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3,4,4-tetramethylisoquinolin-1-yl)-5,6,7,8-tetrahydroquinoxaline
CID 135152929
1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline
CID 135152438
3,3,4,4-tetramethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)isoquinoline
CID 135306256
3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline
CID 135152789
2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline
CID 142383447
4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 121433174
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
CID 135152679
imino-methyl-oxo-[6-(3,3,4,4-tetramethylisoquinolin-1-yl)quinolin-4-yl]-λ6-sulfane
CID 135153648
7-(8-fluoroimidazo[1,5-a]pyrimidin-3-yl)-4,4,5,5-tetramethylthieno[2,3-c]pyridine
CID 135152403
2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline
CID 142383413
8-hydroxy-6-(3,3,4,4-tetramethylisoquinolin-1-yl)chromen-4-one
CID 135153075
5,6-difluoro-3,3,4,4-tetramethyl-1-quinolin-2-ylisoquinoline
CID 135152763

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine?
The IUPAC name of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine (CID 135152778) is 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine.
What is the SMILES notation for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine?
The canonical SMILES for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine is CC1(C)N=C(c2cnc3sccc3n2)c2ccccc2C1(C)C.
What is the InChIKey of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine?
The InChIKey is XENGIHVGXVMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-18(2)13-8-6-5-7-12(13)16(22-19(18,3)4)15-11-20-17-14(21-15)9-10-23-17/h5-11H,1-4H3.
What are the key properties of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine?
2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine has a molecular weight of 321.45 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine is sourced from PubChem (CID 135152778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).