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

C27H32N4O4 — CID 91573692

IUPAC2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)C(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C27H32N4O4/c1-17(2)31(34)25(32)15-30-12-11-27(28,26(30)33)21-6-8-22(9-7-21)35-16-20-14-19(4)29-24-10-5-18(3)13-23(20)24/h5-10,13-14,17,34H,11-12,15-16,28H2,1-4H3
InChIKeyCQEUVOVRGUCNQE-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.44
Rot. Bonds7

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

2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide (PubChem CID 91573692) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide
PubChem CID91573692
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)C(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C27H32N4O4/c1-17(2)31(34)25(32)15-30-12-11-27(28,26(30)33)21-6-8-22(9-7-21)35-16-20-14-19(4)29-24-10-5-18(3)13-23(20)24/h5-10,13-14,17,34H,11-12,15-16,28H2,1-4H3
InChIKeyCQEUVOVRGUCNQE-UHFFFAOYSA-N
XLogP3.44
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.44
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-propan-2-ylacetamide?
The IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide (CID 91573692) is 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide.
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-propan-2-ylacetamide?
The canonical SMILES for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide is Cc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(CC(=O)N(O)C(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-propan-2-ylacetamide?
The InChIKey is CQEUVOVRGUCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)31(34)25(32)15-30-12-11-27(28,26(30)33)21-6-8-22(9-7-21)35-16-20-14-19(4)29-24-10-5-18(3)13-23(20)24/h5-10,13-14,17,34H,11-12,15-16,28H2,1-4H3.
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-propan-2-ylacetamide?
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide has a molecular weight of 476.58 g/mol, XLogP of 3.44, 7 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-propan-2-ylacetamide is sourced from PubChem (CID 91573692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).