4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one

C17H17N3O3S — CID 22513923

IUPAC4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one
SMILESCc1nn(CC(=O)N2CCOCC2)c(=O)c2c1sc1ccccc12
InChIInChI=1S/C17H17N3O3S/c1-11-16-15(12-4-2-3-5-13(12)24-16)17(22)20(18-11)10-14(21)19-6-8-23-9-7-19/h2-5H,6-10H2,1H3
InChIKeyGRKXYRPGIPAVID-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.78
Rot. Bonds2

About 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one

4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one (PubChem CID 22513923) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one
PubChem CID22513923
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one
SMILESCc1nn(CC(=O)N2CCOCC2)c(=O)c2c1sc1ccccc12
InChIInChI=1S/C17H17N3O3S/c1-11-16-15(12-4-2-3-5-13(12)24-16)17(22)20(18-11)10-14(21)19-6-8-23-9-7-19/h2-5H,6-10H2,1H3
InChIKeyGRKXYRPGIPAVID-UHFFFAOYSA-N
XLogP1.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one?
The IUPAC name of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one (CID 22513923) is 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one is Cc1nn(CC(=O)N2CCOCC2)c(=O)c2c1sc1ccccc12.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one?
The InChIKey is GRKXYRPGIPAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-16-15(12-4-2-3-5-13(12)24-16)17(22)20(18-11)10-14(21)19-6-8-23-9-7-19/h2-5H,6-10H2,1H3.
What are the key properties of 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one?
4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one has a molecular weight of 343.41 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1]benzothiolo[2,3-d]pyridazin-1-one is sourced from PubChem (CID 22513923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).