(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine

C26H24N4O2 — CID 25265136

IUPAC(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
SMILESC=C(CO/N=C(\C)c1ccc2ccccc2n1)CO/N=C(\C)c1ccc2ccccc2n1
InChIInChI=1S/C26H24N4O2/c1-18(16-31-29-19(2)23-14-12-21-8-4-6-10-25(21)27-23)17-32-30-20(3)24-15-13-22-9-5-7-11-26(22)28-24/h4-15H,1,16-17H2,2-3H3/b29-19+,30-20+
InChIKeyPHRVIZQTGNZZIC-CZYCKNNWSA-N
MW424.50 g/mol
LogP5.52
Rot. Bonds8

About (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine

(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine (PubChem CID 25265136) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
PubChem CID25265136
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
SMILESC=C(CO/N=C(\C)c1ccc2ccccc2n1)CO/N=C(\C)c1ccc2ccccc2n1
InChIInChI=1S/C26H24N4O2/c1-18(16-31-29-19(2)23-14-12-21-8-4-6-10-25(21)27-23)17-32-30-20(3)24-15-13-22-9-5-7-11-26(22)28-24/h4-15H,1,16-17H2,2-3H3/b29-19+,30-20+
InChIKeyPHRVIZQTGNZZIC-CZYCKNNWSA-N
XLogP5.52
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine with MolForge

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Related Compounds

N-(2-methylidenebutoxy)-1-pyridin-2-ylethanimine
CID 76696793
1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
CID 76696791
3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139
2-(3-chloroprop-1-en-2-yl)quinoline
CID 54037499
N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 123809968
3-methyl-1-quinolin-2-ylbut-2-en-1-one
CID 79190810
2-hydroxyethyl (2R)-2-(1-quinolin-2-ylethylideneamino)butanoate
CID 89269438
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
CID 155373774
N-quinolin-2-yloxypropan-2-imine
CID 134119603
N'-(2-methoxyethyl)quinoline-2-carboximidamide
CID 63222826
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
CID 164702541
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801

Frequently Asked Questions

What is the IUPAC name of (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine?
The IUPAC name of (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine (CID 25265136) is (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine.
What is the SMILES notation for (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine?
The canonical SMILES for (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine is C=C(CO/N=C(\C)c1ccc2ccccc2n1)CO/N=C(\C)c1ccc2ccccc2n1.
What is the InChIKey of (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine?
The InChIKey is PHRVIZQTGNZZIC-CZYCKNNWSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18(16-31-29-19(2)23-14-12-21-8-4-6-10-25(21)27-23)17-32-30-20(3)24-15-13-22-9-5-7-11-26(22)28-24/h4-15H,1,16-17H2,2-3H3/b29-19+,30-20+.
What are the key properties of (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine?
(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine has a molecular weight of 424.50 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine is sourced from PubChem (CID 25265136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).