(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide

C24H19N3O3 — CID 55750852

IUPAC(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c28-22(15-10-17-6-2-1-3-7-17)25-19-13-11-18(12-14-19)24(30)27-16-23(29)26-20-8-4-5-9-21(20)27/h1-15H,16H2,(H,25,28)(H,26,29)/b15-10+
InChIKeyWJEUXPQAFMALES-XNTDXEJSSA-N
MW397.43 g/mol
LogP3.94
Rot. Bonds4

About (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 55750852) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
PubChem CID55750852
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c28-22(15-10-17-6-2-1-3-7-17)25-19-13-11-18(12-14-19)24(30)27-16-23(29)26-20-8-4-5-9-21(20)27/h1-15H,16H2,(H,25,28)(H,26,29)/b15-10+
InChIKeyWJEUXPQAFMALES-XNTDXEJSSA-N
XLogP3.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-cyanophenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]prop-2-enamide
CID 55799287
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]prop-2-enamide
CID 55751202
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
CID 55750719
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55798615

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide (CID 55750852) is (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is WJEUXPQAFMALES-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-22(15-10-17-6-2-1-3-7-17)25-19-13-11-18(12-14-19)24(30)27-16-23(29)26-20-8-4-5-9-21(20)27/h1-15H,16H2,(H,25,28)(H,26,29)/b15-10+.
What are the key properties of (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 397.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 55750852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).