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

C24H23N3O4 — CID 25138232

IUPAC(2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cc(COc2ccc(C3C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N3)cc2)c2ccccc2n1
InChIInChI=1S/C24H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)21-12-24(23(29)26-21)11-19(24)22(28)27-30/h2-10,19,21,30H,11-13H2,1H3,(H,26,29)(H,27,28)/t19-,21?,24-/m1/s1
InChIKeyCHWRXGNKDPYANF-PBFVZKOQSA-N
MW417.47 g/mol
LogP3.19
Rot. Bonds5

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

(2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 25138232) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID25138232
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cc(COc2ccc(C3C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N3)cc2)c2ccccc2n1
InChIInChI=1S/C24H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)21-12-24(23(29)26-21)11-19(24)22(28)27-30/h2-10,19,21,30H,11-13H2,1H3,(H,26,29)(H,27,28)/t19-,21?,24-/m1/s1
InChIKeyCHWRXGNKDPYANF-PBFVZKOQSA-N
XLogP3.19
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.19
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-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide (CID 25138232) is (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is Cc1cc(COc2ccc(C3C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N3)cc2)c2ccccc2n1.
What is the InChIKey of (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is CHWRXGNKDPYANF-PBFVZKOQSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)21-12-24(23(29)26-21)11-19(24)22(28)27-30/h2-10,19,21,30H,11-13H2,1H3,(H,26,29)(H,27,28)/t19-,21?,24-/m1/s1.
What are the key properties of (2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-hydroxy-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.19, 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-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 25138232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).