2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C26H30N4O4 — CID 10389612

IUPAC2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3ccnc4ccccc34)cc2)C1=O
InChIInChI=1S/C26H30N4O4/c1-17(2)15-23(24(31)29-33)30-14-12-26(27,25(30)32)19-7-9-20(10-8-19)34-16-18-11-13-28-22-6-4-3-5-21(18)22/h3-11,13,17,23,33H,12,14-16,27H2,1-2H3,(H,29,31)
InChIKeyLCTKWVTVYZFBSB-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.12
Rot. Bonds8

About 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 10389612) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID10389612
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3ccnc4ccccc34)cc2)C1=O
InChIInChI=1S/C26H30N4O4/c1-17(2)15-23(24(31)29-33)30-14-12-26(27,25(30)32)19-7-9-20(10-8-19)34-16-18-11-13-28-22-6-4-3-5-21(18)22/h3-11,13,17,23,33H,12,14-16,27H2,1-2H3,(H,29,31)
InChIKeyLCTKWVTVYZFBSB-UHFFFAOYSA-N
XLogP3.12
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.12
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-(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-(4-methylsulfanylphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11227054
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide
CID 10116341
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
CID 118559738
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 10225539
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 10480114
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
CID 23001669
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-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
1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide
CID 142260488

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 10389612) is 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is CC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3ccnc4ccccc34)cc2)C1=O.
What is the InChIKey of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is LCTKWVTVYZFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17(2)15-23(24(31)29-33)30-14-12-26(27,25(30)32)19-7-9-20(10-8-19)34-16-18-11-13-28-22-6-4-3-5-21(18)22/h3-11,13,17,23,33H,12,14-16,27H2,1-2H3,(H,29,31).
What are the key properties of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 462.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).