2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide

C28H34N4O4 — CID 91263593

IUPAC2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)CC(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C28H34N4O4/c1-18(2)15-32(35)26(33)16-31-12-11-28(29,27(31)34)22-6-8-23(9-7-22)36-17-21-14-20(4)30-25-10-5-19(3)13-24(21)25/h5-10,13-14,18,35H,11-12,15-17,29H2,1-4H3
InChIKeyITQAWKDFZWCCFD-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.69
Rot. Bonds8

About 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide

2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide (PubChem CID 91263593) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide
PubChem CID91263593
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)CC(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C28H34N4O4/c1-18(2)15-32(35)26(33)16-31-12-11-28(29,27(31)34)22-6-8-23(9-7-22)36-17-21-14-20(4)30-25-10-5-19(3)13-24(21)25/h5-10,13-14,18,35H,11-12,15-17,29H2,1-4H3
InChIKeyITQAWKDFZWCCFD-UHFFFAOYSA-N
XLogP3.69
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide (CID 91263593) is 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide is Cc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)CC(C)C)C4=O)cc3)c2c1.
What is the InChIKey of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide?
The InChIKey is ITQAWKDFZWCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18(2)15-32(35)26(33)16-31-12-11-28(29,27(31)34)22-6-8-23(9-7-22)36-17-21-14-20(4)30-25-10-5-19(3)13-24(21)25/h5-10,13-14,18,35H,11-12,15-17,29H2,1-4H3.
What are the key properties of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide?
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 91263593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).