N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

C23H21N3O4 — CID 16659537

IUPACN-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyNBVPPLDMTKVENW-OAQYLSRUSA-N
MW403.44 g/mol
LogP3.08
Rot. Bonds5

About N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (PubChem CID 16659537) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
PubChem CID16659537
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyNBVPPLDMTKVENW-OAQYLSRUSA-N
XLogP3.08
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (CID 16659537) is N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The InChIKey is NBVPPLDMTKVENW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1.
What are the key properties of N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2R)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is sourced from PubChem (CID 16659537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).