(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one

C18H14N2O2 — CID 30896378

IUPAC(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C18H14N2O2/c1-22-15-6-4-14(5-7-15)18(21)9-3-13-2-8-16-17(12-13)20-11-10-19-16/h2-12H,1H3/b9-3+
InChIKeyVXLBEUFENVCCIN-YCRREMRBSA-N
MW290.32 g/mol
LogP3.53
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one (PubChem CID 30896378) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
PubChem CID30896378
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C18H14N2O2/c1-22-15-6-4-14(5-7-15)18(21)9-3-13-2-8-16-17(12-13)20-11-10-19-16/h2-12H,1H3/b9-3+
InChIKeyVXLBEUFENVCCIN-YCRREMRBSA-N
XLogP3.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one (CID 30896378) is (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one?
The InChIKey is VXLBEUFENVCCIN-YCRREMRBSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-15-6-4-14(5-7-15)18(21)9-3-13-2-8-16-17(12-13)20-11-10-19-16/h2-12H,1H3/b9-3+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one is sourced from PubChem (CID 30896378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).