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

C29H25N3O4 — CID 25138230

IUPAC(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C29H25N3O4/c33-27(32-35)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)36-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26,35H,15-17H2,(H,31,34)(H,32,33)/t23-,26?,29-/m1/s1
InChIKeyULZGDYWMSFUARP-WMKGGLNKSA-N
MW479.54 g/mol
LogP4.55
Rot. Bonds6

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

(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138230) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138230
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C29H25N3O4/c33-27(32-35)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)36-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26,35H,15-17H2,(H,31,34)(H,32,33)/t23-,26?,29-/m1/s1
InChIKeyULZGDYWMSFUARP-WMKGGLNKSA-N
XLogP4.55
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.55
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138230) is (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O.
What is the InChIKey of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is ULZGDYWMSFUARP-WMKGGLNKSA-N. The full InChI is InChI=1S/C29H25N3O4/c33-27(32-35)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)36-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26,35H,15-17H2,(H,31,34)(H,32,33)/t23-,26?,29-/m1/s1.
What are the key properties of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).