2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

C26H23N3O4 — CID 135522116

IUPAC2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESCOc1ccc(/C(O)=C/c2nc3ccc(C(=O)NCCc4ccccc4)cc3[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O4/c1-33-20-10-7-18(8-11-20)24(30)16-23-26(32)29-22-15-19(9-12-21(22)28-23)25(31)27-14-13-17-5-3-2-4-6-17/h2-12,15-16,30H,13-14H2,1H3,(H,27,31)(H,29,32)/b24-16-
InChIKeyLNHFPPHZMOPTGT-JLPGSUDCSA-N
MW441.49 g/mol
LogP3.96
Rot. Bonds7

About 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (PubChem CID 135522116) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
PubChem CID135522116
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESCOc1ccc(/C(O)=C/c2nc3ccc(C(=O)NCCc4ccccc4)cc3[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O4/c1-33-20-10-7-18(8-11-20)24(30)16-23-26(32)29-22-15-19(9-12-21(22)28-23)25(31)27-14-13-17-5-3-2-4-6-17/h2-12,15-16,30H,13-14H2,1H3,(H,27,31)(H,29,32)/b24-16-
InChIKeyLNHFPPHZMOPTGT-JLPGSUDCSA-N
XLogP3.96
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949251
N-(1-benzylpiperidin-4-yl)-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949211
N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)-3-oxo-4H-quinoxaline-6-carboxamide
CID 136727404
2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949237
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 136727409
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (CID 135522116) is 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is COc1ccc(/C(O)=C/c2nc3ccc(C(=O)NCCc4ccccc4)cc3[nH]c2=O)cc1.
What is the InChIKey of 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The InChIKey is LNHFPPHZMOPTGT-JLPGSUDCSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-33-20-10-7-18(8-11-20)24(30)16-23-26(32)29-22-15-19(9-12-21(22)28-23)25(31)27-14-13-17-5-3-2-4-6-17/h2-12,15-16,30H,13-14H2,1H3,(H,27,31)(H,29,32)/b24-16-.
What are the key properties of 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 135522116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).