2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide

C24H17ClFN3O3 — CID 135949237

IUPAC2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nc(/C=C(\O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H17ClFN3O3/c25-17-6-3-15(4-7-17)22(30)12-21-24(32)29-20-11-16(5-10-19(20)28-21)23(31)27-13-14-1-8-18(26)9-2-14/h1-12,30H,13H2,(H,27,31)(H,29,32)/b22-12-
InChIKeyHCGFZAOQLHBZAS-UUYOSTAYSA-N
MW449.87 g/mol
LogP4.70
Rot. Bonds5

About 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide

2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide (PubChem CID 135949237) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
PubChem CID135949237
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC Name2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nc(/C=C(\O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H17ClFN3O3/c25-17-6-3-15(4-7-17)22(30)12-21-24(32)29-20-11-16(5-10-19(20)28-21)23(31)27-13-14-1-8-18(26)9-2-14/h1-12,30H,13H2,(H,27,31)(H,29,32)/b22-12-
InChIKeyHCGFZAOQLHBZAS-UUYOSTAYSA-N
XLogP4.70
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
N-[(2-chlorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949251
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51114332
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide (CID 135949237) is 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2nc(/C=C(\O)c3ccc(Cl)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The InChIKey is HCGFZAOQLHBZAS-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c25-17-6-3-15(4-7-17)22(30)12-21-24(32)29-20-11-16(5-10-19(20)28-21)23(31)27-13-14-1-8-18(26)9-2-14/h1-12,30H,13H2,(H,27,31)(H,29,32)/b22-12-.
What are the key properties of 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide?
2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide has a molecular weight of 449.87 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 135949237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).