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

C28H24N4O4 — CID 25138231

IUPAC(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C28H24N4O4/c33-26(32-35)22-13-28(22)14-25(31-27(28)34)17-7-9-20(10-8-17)36-16-19-12-24(18-4-3-11-29-15-18)30-23-6-2-1-5-21(19)23/h1-12,15,22,25,35H,13-14,16H2,(H,31,34)(H,32,33)/t22-,25?,28-/m1/s1
InChIKeyYJHJPUUREORSTQ-RVFKSZKCSA-N
MW480.52 g/mol
LogP3.95
Rot. Bonds6

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

(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138231) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138231
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O
InChIInChI=1S/C28H24N4O4/c33-26(32-35)22-13-28(22)14-25(31-27(28)34)17-7-9-20(10-8-17)36-16-19-12-24(18-4-3-11-29-15-18)30-23-6-2-1-5-21(19)23/h1-12,15,22,25,35H,13-14,16H2,(H,31,34)(H,32,33)/t22-,25?,28-/m1/s1
InChIKeyYJHJPUUREORSTQ-RVFKSZKCSA-N
XLogP3.95
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138231) is (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-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-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O.
What is the InChIKey of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is YJHJPUUREORSTQ-RVFKSZKCSA-N. The full InChI is InChI=1S/C28H24N4O4/c33-26(32-35)22-13-28(22)14-25(31-27(28)34)17-7-9-20(10-8-17)36-16-19-12-24(18-4-3-11-29-15-18)30-23-6-2-1-5-21(19)23/h1-12,15,22,25,35H,13-14,16H2,(H,31,34)(H,32,33)/t22-,25?,28-/m1/s1.
What are the key properties of (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-hydroxy-4-oxo-6-[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).