3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one

C25H29N3O5 — CID 11532519

IUPAC3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one
SMILESCOc1ccc(C2=NN(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)C(C)(C)C2)cc1OC
InChIInChI=1S/C25H29N3O5/c1-25(2)16-20(18-7-10-21(31-3)22(15-18)32-4)26-28(24(25)30)19-8-5-17(6-9-19)23(29)27-11-13-33-14-12-27/h5-10,15H,11-14,16H2,1-4H3
InChIKeyFMMPHHJOXYFFGN-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.34
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one

3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one (PubChem CID 11532519) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one
PubChem CID11532519
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one
SMILESCOc1ccc(C2=NN(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)C(C)(C)C2)cc1OC
InChIInChI=1S/C25H29N3O5/c1-25(2)16-20(18-7-10-21(31-3)22(15-18)32-4)26-28(24(25)30)19-8-5-17(6-9-19)23(29)27-11-13-33-14-12-27/h5-10,15H,11-14,16H2,1-4H3
InChIKeyFMMPHHJOXYFFGN-UHFFFAOYSA-N
XLogP3.34
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one (CID 11532519) is 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one is COc1ccc(C2=NN(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)C(C)(C)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one?
The InChIKey is FMMPHHJOXYFFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-25(2)16-20(18-7-10-21(31-3)22(15-18)32-4)26-28(24(25)30)19-8-5-17(6-9-19)23(29)27-11-13-33-14-12-27/h5-10,15H,11-14,16H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one?
3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one has a molecular weight of 451.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5,5-dimethyl-1-[4-(morpholine-4-carbonyl)phenyl]-4H-pyridazin-6-one is sourced from PubChem (CID 11532519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).