3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one

C22H18N4O2S — CID 71558710

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
SMILESCc1noc(C)c1-c1csc2cnn(CCc3ccc4ccccc4n3)c(=O)c12
InChIInChI=1S/C22H18N4O2S/c1-13-20(14(2)28-25-13)17-12-29-19-11-23-26(22(27)21(17)19)10-9-16-8-7-15-5-3-4-6-18(15)24-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHPXIBHJLBJHPKR-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.52
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one (PubChem CID 71558710) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
PubChem CID71558710
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
SMILESCc1noc(C)c1-c1csc2cnn(CCc3ccc4ccccc4n3)c(=O)c12
InChIInChI=1S/C22H18N4O2S/c1-13-20(14(2)28-25-13)17-12-29-19-11-23-26(22(27)21(17)19)10-9-16-8-7-15-5-3-4-6-18(15)24-16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHPXIBHJLBJHPKR-UHFFFAOYSA-N
XLogP4.52
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one with MolForge

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Related Compounds

5-(2-quinolin-2-ylethyl)-3-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
CID 71558401
8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71743639
3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
CID 71557601
8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71558447
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 123684601
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125001551
7-bromo-2-(2-quinolin-2-ylethyl)-3-sulfanylideneisoindol-1-one
CID 89314255
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
4-propan-2-yloxy-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149748

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one (CID 71558710) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one is Cc1noc(C)c1-c1csc2cnn(CCc3ccc4ccccc4n3)c(=O)c12.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The InChIKey is HPXIBHJLBJHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-13-20(14(2)28-25-13)17-12-29-19-11-23-26(22(27)21(17)19)10-9-16-8-7-15-5-3-4-6-18(15)24-16/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one has a molecular weight of 402.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-quinolin-2-ylethyl)thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 71558710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).