3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C26H29N3O4 — CID 15107830

IUPAC3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2cccc3ccccc23)c1
InChIInChI=1S/C26H29N3O4/c1-18-14-25(31)28-29-26(18)20-8-4-9-22(15-20)32-13-12-27-16-21(30)17-33-24-11-5-7-19-6-2-3-10-23(19)24/h2-11,15,18,21,27,30H,12-14,16-17H2,1H3,(H,28,31)
InChIKeySZONNAZUSYIZIP-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.11
Rot. Bonds10

About 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 15107830) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID15107830
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2cccc3ccccc23)c1
InChIInChI=1S/C26H29N3O4/c1-18-14-25(31)28-29-26(18)20-8-4-9-22(15-20)32-13-12-27-16-21(30)17-33-24-11-5-7-19-6-2-3-10-23(19)24/h2-11,15,18,21,27,30H,12-14,16-17H2,1H3,(H,28,31)
InChIKeySZONNAZUSYIZIP-UHFFFAOYSA-N
XLogP3.11
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10814388
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 14003389
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide;hydrobromide
CID 14003390
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 14003379
3-[4-[[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10766530
3-[[2-hydroxy-3-(2-methylsulfonylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide;hydrochloride
CID 14003404
3-[4-[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]ethylamino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10741960
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]-2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016333
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
3-[4-[2-[[3-(3-anilinophenoxy)-2-hydroxypropyl]amino]ethoxy]-3-(1λ3-iodacyclopropen-2-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 143236974
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 15107830) is 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2cccc3ccccc23)c1.
What is the InChIKey of 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SZONNAZUSYIZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18-14-25(31)28-29-26(18)20-8-4-9-22(15-20)32-13-12-27-16-21(30)17-33-24-11-5-7-19-6-2-3-10-23(19)24/h2-11,15,18,21,27,30H,12-14,16-17H2,1H3,(H,28,31).
What are the key properties of 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 447.54 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 15107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).