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

C18H14N2O2 — CID 9028030

IUPAC(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H14N2O2/c1-22-15-6-4-5-13(11-15)18(21)10-9-14-12-19-16-7-2-3-8-17(16)20-14/h2-12H,1H3/b10-9+
InChIKeyJYEALYZMEPSDIG-MDZDMXLPSA-N
MW290.32 g/mol
LogP3.53
Rot. Bonds4

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

(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 9028030) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID9028030
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H14N2O2/c1-22-15-6-4-5-13(11-15)18(21)10-9-14-12-19-16-7-2-3-8-17(16)20-14/h2-12H,1H3/b10-9+
InChIKeyJYEALYZMEPSDIG-MDZDMXLPSA-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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Related Compounds

(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
N,N-dimethyl-2-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenoxy]acetamide
CID 9033770
(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 134056411
1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72685777
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560591

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one (CID 9028030) is (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one is COc1cccc(C(=O)/C=C/c2cnc3ccccc3n2)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is JYEALYZMEPSDIG-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-15-6-4-5-13(11-15)18(21)10-9-14-12-19-16-7-2-3-8-17(16)20-14/h2-12H,1H3/b10-9+.
What are the key properties of (E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-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-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 9028030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).