4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal

C13H18N4O2 — CID 155399004

IUPAC4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal
SMILESCN/N=C1\CCCc2nc(OCCCC=O)cnc21
InChIInChI=1S/C13H18N4O2/c1-14-17-11-6-4-5-10-13(11)15-9-12(16-10)19-8-3-2-7-18/h7,9,14H,2-6,8H2,1H3/b17-11+
InChIKeyNLXHMKYXBLNGOY-GZTJUZNOSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds6

About 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal

4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal (PubChem CID 155399004) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal.

Molecular Properties

Compound Name4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal
PubChem CID155399004
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal
SMILESCN/N=C1\CCCc2nc(OCCCC=O)cnc21
InChIInChI=1S/C13H18N4O2/c1-14-17-11-6-4-5-10-13(11)15-9-12(16-10)19-8-3-2-7-18/h7,9,14H,2-6,8H2,1H3/b17-11+
InChIKeyNLXHMKYXBLNGOY-GZTJUZNOSA-N
XLogP1.09
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal?
The IUPAC name of 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal (CID 155399004) is 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal.
What is the SMILES notation for 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal?
The canonical SMILES for 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal is CN/N=C1\CCCc2nc(OCCCC=O)cnc21.
What is the InChIKey of 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal?
The InChIKey is NLXHMKYXBLNGOY-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-17-11-6-4-5-10-13(11)15-9-12(16-10)19-8-3-2-7-18/h7,9,14H,2-6,8H2,1H3/b17-11+.
What are the key properties of 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal?
4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal has a molecular weight of 262.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5E)-5-(methylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanal is sourced from PubChem (CID 155399004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).