2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one

C22H23N3O2S — CID 19825026

IUPAC2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one
SMILESCC(COc1ccc(-n2nc3c(cc2=O)CSc2ccccc2-3)cc1)N(C)C
InChIInChI=1S/C22H23N3O2S/c1-15(24(2)3)13-27-18-10-8-17(9-11-18)25-21(26)12-16-14-28-20-7-5-4-6-19(20)22(16)23-25/h4-12,15H,13-14H2,1-3H3
InChIKeyFLAXUQRBUQKUJJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one

2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one (PubChem CID 19825026) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one
PubChem CID19825026
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one
SMILESCC(COc1ccc(-n2nc3c(cc2=O)CSc2ccccc2-3)cc1)N(C)C
InChIInChI=1S/C22H23N3O2S/c1-15(24(2)3)13-27-18-10-8-17(9-11-18)25-21(26)12-16-14-28-20-7-5-4-6-19(20)22(16)23-25/h4-12,15H,13-14H2,1-3H3
InChIKeyFLAXUQRBUQKUJJ-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one (CID 19825026) is 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one is CC(COc1ccc(-n2nc3c(cc2=O)CSc2ccccc2-3)cc1)N(C)C.
What is the InChIKey of 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one?
The InChIKey is FLAXUQRBUQKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15(24(2)3)13-27-18-10-8-17(9-11-18)25-21(26)12-16-14-28-20-7-5-4-6-19(20)22(16)23-25/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one?
2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one has a molecular weight of 393.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)propoxy]phenyl]-5H-thiochromeno[4,3-c]pyridazin-3-one is sourced from PubChem (CID 19825026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).