5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one

C17H16ClN3O3 — CID 138038486

IUPAC5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Cl
InChIInChI=1S/C17H16ClN3O3/c18-16-13(10-19-20-17(16)22)21-5-3-11(4-6-21)12-1-2-14-15(9-12)24-8-7-23-14/h1-3,9-10H,4-8H2,(H,20,22)
InChIKeyUEKPRJRVHYFZCV-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.49
Rot. Bonds2

About 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one (PubChem CID 138038486) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one
PubChem CID138038486
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Cl
InChIInChI=1S/C17H16ClN3O3/c18-16-13(10-19-20-17(16)22)21-5-3-11(4-6-21)12-1-2-14-15(9-12)24-8-7-23-14/h1-3,9-10H,4-8H2,(H,20,22)
InChIKeyUEKPRJRVHYFZCV-UHFFFAOYSA-N
XLogP2.49
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one (CID 138038486) is 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one?
The InChIKey is UEKPRJRVHYFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-16-13(10-19-20-17(16)22)21-5-3-11(4-6-21)12-1-2-14-15(9-12)24-8-7-23-14/h1-3,9-10H,4-8H2,(H,20,22).
What are the key properties of 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one has a molecular weight of 345.79 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138038486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).