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

C27H32N4O4 — CID 10480114

IUPAC2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(C(C(=O)NO)C(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C27H32N4O4/c1-16(2)24(25(32)30-34)31-12-11-27(28,26(31)33)20-6-8-21(9-7-20)35-15-19-14-18(4)29-23-10-5-17(3)13-22(19)23/h5-10,13-14,16,24,34H,11-12,15,28H2,1-4H3,(H,30,32)
InChIKeyXMRPIFZGMWBRBP-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.35
Rot. Bonds7

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

2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide (PubChem CID 10480114) 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-3-methylbutanamide.

Molecular Properties

Compound Name2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide
PubChem CID10480114
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-3-methylbutanamide
SMILESCc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(C(C(=O)NO)C(C)C)C4=O)cc3)c2c1
InChIInChI=1S/C27H32N4O4/c1-16(2)24(25(32)30-34)31-12-11-27(28,26(31)33)20-6-8-21(9-7-20)35-15-19-14-18(4)29-23-10-5-17(3)13-22(19)23/h5-10,13-14,16,24,34H,11-12,15,28H2,1-4H3,(H,30,32)
InChIKeyXMRPIFZGMWBRBP-UHFFFAOYSA-N
XLogP3.35
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.35
H-Bond Donors ≤ 53
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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Related Compounds

2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-propan-2-ylacetamide
CID 91573692
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-N-(2-methylpropyl)acetamide
CID 91263593
2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11455368
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 90668112
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
CID 23001681
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10389612
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
CID 23001669
2-[3-amino-3-[4-[[2-(4-methylsulfanylphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11227054
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
CID 118559738
prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
CID 21347932
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379

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-3-methylbutanamide?
The IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide (CID 10480114) is 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide is Cc1ccc2nc(C)cc(COc3ccc(C4(N)CCN(C(C(=O)NO)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-3-methylbutanamide?
The InChIKey is XMRPIFZGMWBRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-16(2)24(25(32)30-34)31-12-11-27(28,26(31)33)20-6-8-21(9-7-20)35-15-19-14-18(4)29-23-10-5-17(3)13-22(19)23/h5-10,13-14,16,24,34H,11-12,15,28H2,1-4H3,(H,30,32).
What are the key properties of 2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide?
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide has a molecular weight of 476.58 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 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-3-methylbutanamide is sourced from PubChem (CID 10480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).