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

C24H20F3N3O4 — CID 25138234

IUPAC(2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C24H20F3N3O4/c25-24(26,27)20-9-14(16-3-1-2-4-18(16)28-20)12-34-15-7-5-13(6-8-15)19-11-23(22(32)29-19)10-17(23)21(31)30-33/h1-9,17,19,33H,10-12H2,(H,29,32)(H,30,31)/t17-,19?,23-/m1/s1
InChIKeyGYOJLALGSGDHCD-QKLBRSPYSA-N
MW471.44 g/mol
LogP3.91
Rot. Bonds5

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

(2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138234) has the molecular formula C24H20F3N3O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138234
Molecular FormulaC24H20F3N3O4
Molecular Weight471.44 g/mol
Exact Mass471.14
IUPAC Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C24H20F3N3O4/c25-24(26,27)20-9-14(16-3-1-2-4-18(16)28-20)12-34-15-7-5-13(6-8-15)19-11-23(22(32)29-19)10-17(23)21(31)30-33/h1-9,17,19,33H,10-12H2,(H,29,32)(H,30,31)/t17-,19?,23-/m1/s1
InChIKeyGYOJLALGSGDHCD-QKLBRSPYSA-N
XLogP3.91
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.91
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-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138234) is (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-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-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O.
What is the InChIKey of (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is GYOJLALGSGDHCD-QKLBRSPYSA-N. The full InChI is InChI=1S/C24H20F3N3O4/c25-24(26,27)20-9-14(16-3-1-2-4-18(16)28-20)12-34-15-7-5-13(6-8-15)19-11-23(22(32)29-19)10-17(23)21(31)30-33/h1-9,17,19,33H,10-12H2,(H,29,32)(H,30,31)/t17-,19?,23-/m1/s1.
What are the key properties of (2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-hydroxy-4-oxo-6-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.91, 5 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-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).