5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one

C21H15N3OS2 — CID 71558401

IUPAC5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
SMILESO=c1c2c(-c3cccs3)csc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H15N3OS2/c25-21-20-16(18-6-3-11-26-18)13-27-19(20)12-22-24(21)10-9-15-8-7-14-4-1-2-5-17(14)23-15/h1-8,11-13H,9-10H2
InChIKeyOZUSTWWQMHVVOX-UHFFFAOYSA-N
MW389.51 g/mol
LogP4.98
Rot. Bonds4

About 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one

5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 71558401) has the molecular formula C21H15N3OS2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
PubChem CID71558401
Molecular FormulaC21H15N3OS2
Molecular Weight389.51 g/mol
Exact Mass389.07
IUPAC Name5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
SMILESO=c1c2c(-c3cccs3)csc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H15N3OS2/c25-21-20-16(18-6-3-11-26-18)13-27-19(20)12-22-24(21)10-9-15-8-7-14-4-1-2-5-17(14)23-15/h1-8,11-13H,9-10H2
InChIKeyOZUSTWWQMHVVOX-UHFFFAOYSA-N
XLogP4.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
CID 71558710
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CID 71743639
8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71558447
2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline
CID 115917904
2-(2-bromoethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065049
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 744713
2-but-3-enylsulfanyl-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 86777784
2-(4-oxo-2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898565
3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 95945086
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
7-bromo-2-(2-quinolin-2-ylethyl)-3-sulfanylideneisoindol-1-one
CID 89314255

Frequently Asked Questions

What is the IUPAC name of 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one (CID 71558401) is 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one is O=c1c2c(-c3cccs3)csc2cnn1CCc1ccc2ccccc2n1.
What is the InChIKey of 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is OZUSTWWQMHVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS2/c25-21-20-16(18-6-3-11-26-18)13-27-19(20)12-22-24(21)10-9-15-8-7-14-4-1-2-5-17(14)23-15/h1-8,11-13H,9-10H2.
What are the key properties of 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one?
5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 389.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 71558401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).