N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C23H25N3O5S — CID 10161391

IUPACN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(CCN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O5S/c1-16-14-18(20-4-2-3-5-21(20)24-16)15-31-19-8-6-17(7-9-19)10-12-26-22(23(27)25-28)11-13-32(26,29)30/h2-9,14,22,28H,10-13,15H2,1H3,(H,25,27)
InChIKeyOZLFXWYCUHTSQI-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.57
Rot. Bonds7

About N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 10161391) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID10161391
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(CCN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O5S/c1-16-14-18(20-4-2-3-5-21(20)24-16)15-31-19-8-6-17(7-9-19)10-12-26-22(23(27)25-28)11-13-32(26,29)30/h2-9,14,22,28H,10-13,15H2,1H3,(H,25,27)
InChIKeyOZLFXWYCUHTSQI-UHFFFAOYSA-N
XLogP2.57
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
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 N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 10161391) is N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is Cc1cc(COc2ccc(CCN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is OZLFXWYCUHTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-14-18(20-4-2-3-5-21(20)24-16)15-31-19-8-6-17(7-9-19)10-12-26-22(23(27)25-28)11-13-32(26,29)30/h2-9,14,22,28H,10-13,15H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]ethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10161391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).