N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C29H32N4O5 — CID 91057125

About N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 91057125) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• PubChem CID: 91057125
• Molecular Formula: C29H32N4O5
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• SMILES: CC1=C(CC(=O)NO)C2(CCC(NC(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)CC2)ON1
• InChI: InChI=1S/C29H32N4O5/c1-18-15-21(24-5-3-4-6-26(24)30-18)17-37-23-9-7-20(8-10-23)28(35)31-22-11-13-29(14-12-22)25(16-27(34)32-36)19(2)33-38-29/h3-10,15,22,33,36H,11-14,16-17H2,1-2H3,(H,31,35)(H,32,34)
• InChIKey: UDXFQXBWBVRQKW-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 121.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 91057125) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CC1=C(CC(=O)NO)C2(CCC(NC(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)CC2)ON1.

What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The InChIKey is UDXFQXBWBVRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-18-15-21(24-5-3-4-6-26(24)30-18)17-37-23-9-7-20(8-10-23)28(35)31-22-11-13-29(14-12-22)25(16-27(34)32-36)19(2)33-38-29/h3-10,15,22,33,36H,11-14,16-17H2,1-2H3,(H,31,35)(H,32,34).

What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 516.60 g/mol, XLogP of 4.24, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]-3-methyl-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 91057125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).