6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one

C24H29N3O4 — CID 46227305

IUPAC6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-29-22-9-7-20(15-23(22)30-2)21-8-10-24(28)27(25-21)17-19-5-3-18(4-6-19)16-26-11-13-31-14-12-26/h3-7,9,15H,8,10-14,16-17H2,1-2H3
InChIKeyDDTKYSISTKVJJL-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.06
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one (PubChem CID 46227305) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one
PubChem CID46227305
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-29-22-9-7-20(15-23(22)30-2)21-8-10-24(28)27(25-21)17-19-5-3-18(4-6-19)16-26-11-13-31-14-12-26/h3-7,9,15H,8,10-14,16-17H2,1-2H3
InChIKeyDDTKYSISTKVJJL-UHFFFAOYSA-N
XLogP3.06
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one (CID 46227305) is 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)CC2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one?
The InChIKey is DDTKYSISTKVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-29-22-9-7-20(15-23(22)30-2)21-8-10-24(28)27(25-21)17-19-5-3-18(4-6-19)16-26-11-13-31-14-12-26/h3-7,9,15H,8,10-14,16-17H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one has a molecular weight of 423.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46227305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).