4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one

C19H26ClN3O3 — CID 154277463

IUPAC4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCOc2ccc(OC)cc2CC)c(Cl)c1=O
InChIInChI=1S/C19H26ClN3O3/c1-4-10-23-19(24)18(20)16(13-22-23)21-9-6-11-26-17-8-7-15(25-3)12-14(17)5-2/h7-8,12-13,21H,4-6,9-11H2,1-3H3
InChIKeyBWUYGDRCQWAPDM-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.76
Rot. Bonds10

About 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one

4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one (PubChem CID 154277463) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one
PubChem CID154277463
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCOc2ccc(OC)cc2CC)c(Cl)c1=O
InChIInChI=1S/C19H26ClN3O3/c1-4-10-23-19(24)18(20)16(13-22-23)21-9-6-11-26-17-8-7-15(25-3)12-14(17)5-2/h7-8,12-13,21H,4-6,9-11H2,1-3H3
InChIKeyBWUYGDRCQWAPDM-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
CID 114432838
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
CID 114437534
4-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propoxy]-3-butylbenzoic acid
CID 154478931
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114440096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one (CID 154277463) is 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCCCOc2ccc(OC)cc2CC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one?
The InChIKey is BWUYGDRCQWAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-4-10-23-19(24)18(20)16(13-22-23)21-9-6-11-26-17-8-7-15(25-3)12-14(17)5-2/h7-8,12-13,21H,4-6,9-11H2,1-3H3.
What are the key properties of 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one?
4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one has a molecular weight of 379.89 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 154277463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).