(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine

C18H22ClN3O3 — CID 11820842

IUPAC(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCCCCOc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H22ClN3O3/c1-2-25-20-14-15-6-8-16(9-7-15)23-12-4-3-5-13-24-18-11-10-17(19)21-22-18/h6-11,14H,2-5,12-13H2,1H3/b20-14+
InChIKeyGDZOKZNKHJIKMM-XSFVSMFZSA-N
MW363.85 g/mol
LogP4.13
Rot. Bonds11

About (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine

(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine (PubChem CID 11820842) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
PubChem CID11820842
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCCCCOc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H22ClN3O3/c1-2-25-20-14-15-6-8-16(9-7-15)23-12-4-3-5-13-24-18-11-10-17(19)21-22-18/h6-11,14H,2-5,12-13H2,1H3/b20-14+
InChIKeyGDZOKZNKHJIKMM-XSFVSMFZSA-N
XLogP4.13
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
1-[4-[3-[1-(6-chloropyridazin-3-yl)piperidin-3-yl]propoxy]phenyl]-N-prop-2-enoxymethanimine
CID 87905373
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
CID 11820935
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
4-(ethoxyiminomethyl)aniline
CID 123299913
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
(E)-N-ethoxy-1-(4-nitrosophenyl)methanimine
CID 126675164
1-[4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-prop-2-enoxymethanimine
CID 5273152
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966
(E)-N-ethoxy-1-[4-[2-(1-pyridazin-3-ylpiperidin-4-yl)ethoxy]phenyl]methanimine
CID 11820871
1-ethenyl-4-henicosoxybenzene
CID 174769675

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine?
The IUPAC name of (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine (CID 11820842) is (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine?
The canonical SMILES for (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine is CCO/N=C/c1ccc(OCCCCCOc2ccc(Cl)nn2)cc1.
What is the InChIKey of (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine?
The InChIKey is GDZOKZNKHJIKMM-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-2-25-20-14-15-6-8-16(9-7-15)23-12-4-3-5-13-24-18-11-10-17(19)21-22-18/h6-11,14H,2-5,12-13H2,1H3/b20-14+.
What are the key properties of (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine?
(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine has a molecular weight of 363.85 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine is sourced from PubChem (CID 11820842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).