(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one

C21H14N2O — CID 9027790

IUPAC(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14N2O/c24-21(17-10-9-15-5-1-2-6-16(15)13-17)12-11-18-14-22-19-7-3-4-8-20(19)23-18/h1-14H/b12-11+
InChIKeyMPVDXULULIOZMF-VAWYXSNFSA-N
MW310.36 g/mol
LogP4.68
Rot. Bonds3

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

(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 9027790) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID9027790
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14N2O/c24-21(17-10-9-15-5-1-2-6-16(15)13-17)12-11-18-14-22-19-7-3-4-8-20(19)23-18/h1-14H/b12-11+
InChIKeyMPVDXULULIOZMF-VAWYXSNFSA-N
XLogP4.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one (CID 9027790) is (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one is O=C(/C=C/c1cnc2ccccc2n1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is MPVDXULULIOZMF-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H14N2O/c24-21(17-10-9-15-5-1-2-6-16(15)13-17)12-11-18-14-22-19-7-3-4-8-20(19)23-18/h1-14H/b12-11+.
What are the key properties of (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 310.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 9027790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).