(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide

C29H24FN3O4 — CID 25138229

IUPAC(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O
InChIInChI=1S/C29H24FN3O4/c30-22-12-18(25-15-29(28(35)32-25)14-21(29)27(34)33-36)10-11-26(22)37-16-19-13-24(17-6-2-1-3-7-17)31-23-9-5-4-8-20(19)23/h1-13,21,25,36H,14-16H2,(H,32,35)(H,33,34)/t21-,25?,29-/m1/s1
InChIKeyGXZZJHWSDNUEIM-MVUYGMRSSA-N
MW497.53 g/mol
LogP4.69
Rot. Bonds6

About (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138229) has the molecular formula C29H24FN3O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138229
Molecular FormulaC29H24FN3O4
Molecular Weight497.53 g/mol
Exact Mass497.18
IUPAC Name(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O
InChIInChI=1S/C29H24FN3O4/c30-22-12-18(25-15-29(28(35)32-25)14-21(29)27(34)33-36)10-11-26(22)37-16-19-13-24(17-6-2-1-3-7-17)31-23-9-5-4-8-20(19)23/h1-13,21,25,36H,14-16H2,(H,32,35)(H,33,34)/t21-,25?,29-/m1/s1
InChIKeyGXZZJHWSDNUEIM-MVUYGMRSSA-N
XLogP4.69
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-561392
CID 9847838
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 6914621
(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799781
(1r,2s)-N~2~-Hydroxy-1-{4-[(2-Phenylquinolin-4-Yl)methoxy]benzyl}cyclopropane-1,2-Dicarboxamide
CID 24978491
(1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl}methyl)-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 25138228
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-(4-((2-methylquinolin-4-yl)methoxy)benzyl)cyclopropanecarboxylate
CID 24800833
(1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}-1-N-(propan-2-yl)cyclopropane-1,2-dicarboxamide
CID 24799616
(1R,2R)-2-N-hydroxy-1-N-methyl-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24799617
(1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 24799619
(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24799621
(1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799779
(1R,2S)-2-N-hydroxy-1-N-methyl-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799780

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138229) is (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O.
What is the InChIKey of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is GXZZJHWSDNUEIM-MVUYGMRSSA-N. The full InChI is InChI=1S/C29H24FN3O4/c30-22-12-18(25-15-29(28(35)32-25)14-21(29)27(34)33-36)10-11-26(22)37-16-19-13-24(17-6-2-1-3-7-17)31-23-9-5-4-8-20(19)23/h1-13,21,25,36H,14-16H2,(H,32,35)(H,33,34)/t21-,25?,29-/m1/s1.
What are the key properties of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).