(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine

C17H14ClN3O2 — CID 11820935

IUPAC(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H14ClN3O2/c1-2-22-20-10-12-3-6-14(7-4-12)23-17-11-19-16-9-13(18)5-8-15(16)21-17/h3-11H,2H2,1H3/b20-10+
InChIKeyWHVBXJSQFFQTPI-KEBDBYFISA-N
MW327.77 g/mol
LogP4.45
Rot. Bonds5

About (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine

(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine (PubChem CID 11820935) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
PubChem CID11820935
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H14ClN3O2/c1-2-22-20-10-12-3-6-14(7-4-12)23-17-11-19-16-9-13(18)5-8-15(16)21-17/h3-11H,2H2,1H3/b20-10+
InChIKeyWHVBXJSQFFQTPI-KEBDBYFISA-N
XLogP4.45
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-2-ethylhexanal
CID 56627761
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
CID 57226897
4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde
CID 133462565
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 134106584
(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
CID 11820842
2-[5-(6-chloroquinoxalin-2-yl)oxy-2-ethylphenyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 58061238
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine?
The IUPAC name of (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine (CID 11820935) is (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine?
The canonical SMILES for (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine is CCO/N=C/c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine?
The InChIKey is WHVBXJSQFFQTPI-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-2-22-20-10-12-3-6-14(7-4-12)23-17-11-19-16-9-13(18)5-8-15(16)21-17/h3-11H,2H2,1H3/b20-10+.
What are the key properties of (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine?
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine has a molecular weight of 327.77 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine is sourced from PubChem (CID 11820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).