N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide

C24H20N2O4 — CID 162673707

IUPACN-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide
SMILESCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H20N2O4/c1-26-20-10-6-5-9-19(20)21(17-7-3-2-4-8-17)22(24(26)28)30-15-16-11-13-18(14-12-16)23(27)25-29/h2-14,29H,15H2,1H3,(H,25,27)
InChIKeyDBNBKHKJGIRTDK-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.90
Rot. Bonds5

About N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide

N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide (PubChem CID 162673707) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide
PubChem CID162673707
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide
SMILESCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H20N2O4/c1-26-20-10-6-5-9-19(20)21(17-7-3-2-4-8-17)22(24(26)28)30-15-16-11-13-18(14-12-16)23(27)25-29/h2-14,29H,15H2,1H3,(H,25,27)
InChIKeyDBNBKHKJGIRTDK-UHFFFAOYSA-N
XLogP3.90
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.90
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide (CID 162673707) is N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide is Cn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide?
The InChIKey is DBNBKHKJGIRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-26-20-10-6-5-9-19(20)21(17-7-3-2-4-8-17)22(24(26)28)30-15-16-11-13-18(14-12-16)23(27)25-29/h2-14,29H,15H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide?
N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1-methyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 162673707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).