2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one

C16H19ClN2O3 — CID 13246203

IUPAC2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one
SMILESCCCCn1ncc(OCc2ccc(OC)cc2)c(Cl)c1=O
InChIInChI=1S/C16H19ClN2O3/c1-3-4-9-19-16(20)15(17)14(10-18-19)22-11-12-5-7-13(21-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyMQAGOYICPORNQJ-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.28
Rot. Bonds7

About 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one

2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one (PubChem CID 13246203) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one
PubChem CID13246203
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one
SMILESCCCCn1ncc(OCc2ccc(OC)cc2)c(Cl)c1=O
InChIInChI=1S/C16H19ClN2O3/c1-3-4-9-19-16(20)15(17)14(10-18-19)22-11-12-5-7-13(21-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyMQAGOYICPORNQJ-UHFFFAOYSA-N
XLogP3.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Butoxyphenyl)methoxy]-2-tert-butyl-4-chloropyridazin-3-one
CID 13852614
2-Tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one
CID 24864645
2-Tert-butyl-4-chloro-5-[4-(3-fluoropropoxy)benzyloxy]-2h-pyridazin-3-one
CID 24864648
2-Methyl-5-[4-(3-piperidin-1-yl-propoxy)-phenyl]-2H-pyridazin-3-one
CID 24995995
5-[4-(3-Azepan-1-yl-propoxy)-phenyl]-2-methyl-2H-pyridazin-3-one
CID 24995996
(+/-)-2-tert-butyl-4-chloro 5-(4-(1-fluoro-but-2-oxy)benzyl)oxy-3(2H)-pyridazinone
CID 44576650
2-(tert-butyl)-4-chloro-5-((4-(2-(2-fluoroethoxyl)ethoxy)benzyl)oxy)pyridazin-3(2H)-one
CID 73297106
2-(tert-butyl)-4-chloro-5-((2-chloro-4-(3-fluoropropoxyl)benzyl)oxy)pyridazin-3(2H)-one
CID 73293429
Preparation of 2-(tert-butyl)-4-chloro-5-((3-(3-fluoropropoxyl)benzyl)oxy)pyridazin-3(2H)-one
CID 90038307
2-(tert-butyl)-4-chloro-5-((3-(2-fluoroethoxyl)benzyl)oxy)pyridazin-3(2H)-one
CID 90038560
2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3(2H)-one
CID 838927
4,5-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridazin-3-one
CID 44227025

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one (CID 13246203) is 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one is CCCCn1ncc(OCc2ccc(OC)cc2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one?
The InChIKey is MQAGOYICPORNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-4-9-19-16(20)15(17)14(10-18-19)22-11-12-5-7-13(21-2)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one?
2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one has a molecular weight of 322.79 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 13246203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).