N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide

C21H16N2O5 — CID 167238165

IUPACN-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
SMILESCOc1ccc2c3c(cccc13)C(=O)N(Cc1ccc(C(=O)NO)cc1)C2=O
InChIInChI=1S/C21H16N2O5/c1-28-17-10-9-16-18-14(17)3-2-4-15(18)20(25)23(21(16)26)11-12-5-7-13(8-6-12)19(24)22-27/h2-10,27H,11H2,1H3,(H,22,24)
InChIKeyDUDRNIOSRBCEFQ-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.76
Rot. Bonds4

About N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide

N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide (PubChem CID 167238165) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
PubChem CID167238165
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
SMILESCOc1ccc2c3c(cccc13)C(=O)N(Cc1ccc(C(=O)NO)cc1)C2=O
InChIInChI=1S/C21H16N2O5/c1-28-17-10-9-16-18-14(17)3-2-4-15(18)20(25)23(21(16)26)11-12-5-7-13(8-6-12)19(24)22-27/h2-10,27H,11H2,1H3,(H,22,24)
InChIKeyDUDRNIOSRBCEFQ-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide (CID 167238165) is N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide is COc1ccc2c3c(cccc13)C(=O)N(Cc1ccc(C(=O)NO)cc1)C2=O.
What is the InChIKey of N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide?
The InChIKey is DUDRNIOSRBCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-28-17-10-9-16-18-14(17)3-2-4-15(18)20(25)23(21(16)26)11-12-5-7-13(8-6-12)19(24)22-27/h2-10,27H,11H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide?
N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide has a molecular weight of 376.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide is sourced from PubChem (CID 167238165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).