4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide

C23H20FN3O3 — CID 73300935

IUPAC4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3/c24-18-11-7-15(8-12-18)13-21-23(29)25-19-3-1-2-4-20(19)27(21)14-16-5-9-17(10-6-16)22(28)26-30/h1-12,21,30H,13-14H2,(H,25,29)(H,26,28)
InChIKeyCJWWTVIITIHXLR-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.51
Rot. Bonds5

About 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide

4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 73300935) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID73300935
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3/c24-18-11-7-15(8-12-18)13-21-23(29)25-19-3-1-2-4-20(19)27(21)14-16-5-9-17(10-6-16)22(28)26-30/h1-12,21,30H,13-14H2,(H,25,29)(H,26,28)
InChIKeyCJWWTVIITIHXLR-UHFFFAOYSA-N
XLogP3.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide (CID 73300935) is 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is CJWWTVIITIHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-18-11-7-15(8-12-18)13-21-23(29)25-19-3-1-2-4-20(19)27(21)14-16-5-9-17(10-6-16)22(28)26-30/h1-12,21,30H,13-14H2,(H,25,29)(H,26,28).
What are the key properties of 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 405.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 73300935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).