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

C30H26FN3O4 — CID 25138235

IUPAC(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCN1C(=O)[C@@]2(CC1c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)C[C@@H]2C(=O)NO
InChIInChI=1S/C30H26FN3O4/c1-34-26(16-30(29(34)36)15-22(30)28(35)33-37)19-11-12-27(23(31)13-19)38-17-20-14-25(18-7-3-2-4-8-18)32-24-10-6-5-9-21(20)24/h2-14,22,26,37H,15-17H2,1H3,(H,33,35)/t22-,26?,30-/m1/s1
InChIKeyNIMFDLGXDWOYBK-YDSPQXFFSA-N
MW511.55 g/mol
LogP5.03
Rot. Bonds6

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

(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138235) has the molecular formula C30H26FN3O4 and a molecular weight of 511.55 g/mol. Its IUPAC name is (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-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-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138235
Molecular FormulaC30H26FN3O4
Molecular Weight511.55 g/mol
Exact Mass511.19
IUPAC Name(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCN1C(=O)[C@@]2(CC1c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)C[C@@H]2C(=O)NO
InChIInChI=1S/C30H26FN3O4/c1-34-26(16-30(29(34)36)15-22(30)28(35)33-37)19-11-12-27(23(31)13-19)38-17-20-14-25(18-7-3-2-4-8-18)32-24-10-6-5-9-21(20)24/h2-14,22,26,37H,15-17H2,1H3,(H,33,35)/t22-,26?,30-/m1/s1
InChIKeyNIMFDLGXDWOYBK-YDSPQXFFSA-N
XLogP5.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.03
H-Bond Donors ≤ 52
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-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-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-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138235) is (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-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-5-methyl-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-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is CN1C(=O)[C@@]2(CC1c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)C[C@@H]2C(=O)NO.
What is the InChIKey of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is NIMFDLGXDWOYBK-YDSPQXFFSA-N. The full InChI is InChI=1S/C30H26FN3O4/c1-34-26(16-30(29(34)36)15-22(30)28(35)33-37)19-11-12-27(23(31)13-19)38-17-20-14-25(18-7-3-2-4-8-18)32-24-10-6-5-9-21(20)24/h2-14,22,26,37H,15-17H2,1H3,(H,33,35)/t22-,26?,30-/m1/s1.
What are the key properties of (2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-6-[3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-N-hydroxy-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 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-5-methyl-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).