(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid

C24H25N3O4 — CID 10788213

IUPAC(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cnc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C24H25N3O4/c28-23(29)15-26-31-24(17-6-2-1-3-7-17)18-10-12-20(13-11-18)30-16-19-14-25-21-8-4-5-9-22(21)27-19/h4-5,8-15,17,24H,1-3,6-7,16H2,(H,28,29)/b26-15+
InChIKeyYNCOFMIKOWLKMV-CVKSISIWSA-N
MW419.48 g/mol
LogP4.92
Rot. Bonds8

About (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid

(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid (PubChem CID 10788213) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
PubChem CID10788213
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cnc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C24H25N3O4/c28-23(29)15-26-31-24(17-6-2-1-3-7-17)18-10-12-20(13-11-18)30-16-19-14-25-21-8-4-5-9-22(21)27-19/h4-5,8-15,17,24H,1-3,6-7,16H2,(H,28,29)/b26-15+
InChIKeyYNCOFMIKOWLKMV-CVKSISIWSA-N
XLogP4.92
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid (CID 10788213) is (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid is O=C(O)/C=N/OC(c1ccc(OCc2cnc3ccccc3n2)cc1)C1CCCCC1.
What is the InChIKey of (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The InChIKey is YNCOFMIKOWLKMV-CVKSISIWSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-23(29)15-26-31-24(17-6-2-1-3-7-17)18-10-12-20(13-11-18)30-16-19-14-25-21-8-4-5-9-22(21)27-19/h4-5,8-15,17,24H,1-3,6-7,16H2,(H,28,29)/b26-15+.
What are the key properties of (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid has a molecular weight of 419.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid is sourced from PubChem (CID 10788213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).