(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one

C21H14N2O — CID 176900312

IUPAC(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2nccnc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14N2O/c24-21(18-8-7-16-3-1-2-4-17(16)14-18)10-6-15-5-9-19-20(13-15)23-12-11-22-19/h1-14H/b10-6+
InChIKeyFHXLQCNMSCYUQG-UXBLZVDNSA-N
MW310.36 g/mol
LogP4.68
Rot. Bonds3

About (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one

(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one (PubChem CID 176900312) 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-6-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
PubChem CID176900312
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2nccnc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14N2O/c24-21(18-8-7-16-3-1-2-4-17(16)14-18)10-6-15-5-9-19-20(13-15)23-12-11-22-19/h1-14H/b10-6+
InChIKeyFHXLQCNMSCYUQG-UXBLZVDNSA-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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Related Compounds

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
1-(4-hydroxy-3-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
CID 71947326
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one (CID 176900312) is (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one is O=C(/C=C/c1ccc2nccnc2c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one?
The InChIKey is FHXLQCNMSCYUQG-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H14N2O/c24-21(18-8-7-16-3-1-2-4-17(16)14-18)10-6-15-5-9-19-20(13-15)23-12-11-22-19/h1-14H/b10-6+.
What are the key properties of (E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-quinoxalin-6-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-6-ylprop-2-en-1-one is sourced from PubChem (CID 176900312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).