ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate

C19H20N2O3S — CID 10760728

IUPACethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate
SMILESCCCn1nc(-c2ccccc2)c2c(C)c(C(=O)OCC)sc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-4-11-21-18(22)17-14(12(3)16(25-17)19(23)24-5-2)15(20-21)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyIWJSGKIXAIORNY-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.02
Rot. Bonds5

About ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate

ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate (PubChem CID 10760728) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate
PubChem CID10760728
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Nameethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate
SMILESCCCn1nc(-c2ccccc2)c2c(C)c(C(=O)OCC)sc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-4-11-21-18(22)17-14(12(3)16(25-17)19(23)24-5-2)15(20-21)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyIWJSGKIXAIORNY-UHFFFAOYSA-N
XLogP4.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-ethyl-3-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate
CID 135436358
1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
CID 134113756
diethyl 5-[(Z)-(2-amino-4-phenyl-1,3-thiazol-5-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate
CID 137269367
ethyl 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999291
ethyl 2-[13-(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 146183998
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731874
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30394191
ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate?
The IUPAC name of ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate (CID 10760728) is ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate is CCCn1nc(-c2ccccc2)c2c(C)c(C(=O)OCC)sc2c1=O.
What is the InChIKey of ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate?
The InChIKey is IWJSGKIXAIORNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-11-21-18(22)17-14(12(3)16(25-17)19(23)24-5-2)15(20-21)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3.
What are the key properties of ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate?
ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-7-oxo-4-phenyl-6-propylthieno[2,3-d]pyridazine-2-carboxylate is sourced from PubChem (CID 10760728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).