6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C18H17Cl2N3O4 — CID 44770267

About 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44770267) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 44770267
• Molecular Formula: C18H17Cl2N3O4
• Molecular Weight: 410.26 g/mol
• Exact Mass: 409.06
• IUPAC Name: 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: O=C1CCC(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)=NN1
• InChI: InChI=1S/C18H17Cl2N3O4/c19-10-7-11-14(24)9-18(27-16(11)12(20)8-10)3-5-23(6-4-18)17(26)13-1-2-15(25)22-21-13/h7-8H,1-6,9H2,(H,22,25)
• InChIKey: ZLJNHNSYECWWEZ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 88.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.26
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44770267) is 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CCC(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)=NN1.

What is the InChIKey of 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is ZLJNHNSYECWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c19-10-7-11-14(24)9-18(27-16(11)12(20)8-10)3-5-23(6-4-18)17(26)13-1-2-15(25)22-21-13/h7-8H,1-6,9H2,(H,22,25).

What are the key properties of 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?

6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 410.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44770267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).