[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

C23H24N4O4 — CID 6411247

IUPAC[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-9-5-17(15-21(20)30-2)19-8-10-22(26-25-19)24-18-6-3-16(4-7-18)23(28)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyZZJNNBBGQYWMRJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.38
Rot. Bonds6

About [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 6411247) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID6411247
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-29-20-9-5-17(15-21(20)30-2)19-8-10-22(26-25-19)24-18-6-3-16(4-7-18)23(28)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,26)
InChIKeyZZJNNBBGQYWMRJ-UHFFFAOYSA-N
XLogP3.38
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide
CID 153524911
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155534710
6-(3-chloro-5-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylpyridazine-4-carboxamide
CID 45375931
N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-benzoic acid ethyl ester
CID 6603105
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 6411247) is [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is COc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn2)cc1OC.
What is the InChIKey of [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZZJNNBBGQYWMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-29-20-9-5-17(15-21(20)30-2)19-8-10-22(26-25-19)24-18-6-3-16(4-7-18)23(28)27-11-13-31-14-12-27/h3-10,15H,11-14H2,1-2H3,(H,24,26).
What are the key properties of [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 420.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6411247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).