3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine

C23H23N3O2 — CID 146419697

IUPAC3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine
SMILESc1cnnc(-c2ccc(CN3CCCC3c3ccc4c(c3)OCCO4)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-3-20(25-24-11-1)18-7-5-17(6-8-18)16-26-12-2-4-21(26)19-9-10-22-23(15-19)28-14-13-27-22/h1,3,5-11,15,21H,2,4,12-14,16H2
InChIKeyXAQOSWYXZSYBGD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.25
Rot. Bonds4

About 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine

3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine (PubChem CID 146419697) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine
PubChem CID146419697
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine
SMILESc1cnnc(-c2ccc(CN3CCCC3c3ccc4c(c3)OCCO4)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-3-20(25-24-11-1)18-7-5-17(6-8-18)16-26-12-2-4-21(26)19-9-10-22-23(15-19)28-14-13-27-22/h1,3,5-11,15,21H,2,4,12-14,16H2
InChIKeyXAQOSWYXZSYBGD-UHFFFAOYSA-N
XLogP4.25
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine?
The IUPAC name of 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine (CID 146419697) is 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine.
What is the SMILES notation for 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine?
The canonical SMILES for 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine is c1cnnc(-c2ccc(CN3CCCC3c3ccc4c(c3)OCCO4)cc2)c1.
What is the InChIKey of 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine?
The InChIKey is XAQOSWYXZSYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-20(25-24-11-1)18-7-5-17(6-8-18)16-26-12-2-4-21(26)19-9-10-22-23(15-19)28-14-13-27-22/h1,3,5-11,15,21H,2,4,12-14,16H2.
What are the key properties of 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine?
3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine has a molecular weight of 373.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyridazine is sourced from PubChem (CID 146419697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).