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

C21H21N3O5S — CID 10202769

IUPACN-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(N3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C21H21N3O5S/c1-14-12-15(18-4-2-3-5-19(18)22-14)13-29-17-8-6-16(7-9-17)24-20(21(25)23-26)10-11-30(24,27)28/h2-9,12,20,26H,10-11,13H2,1H3,(H,23,25)
InChIKeyCNJHNAILYAGVJU-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.54
Rot. Bonds5

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

N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 10202769) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID10202769
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(N3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C21H21N3O5S/c1-14-12-15(18-4-2-3-5-19(18)22-14)13-29-17-8-6-16(7-9-17)24-20(21(25)23-26)10-11-30(24,27)28/h2-9,12,20,26H,10-11,13H2,1H3,(H,23,25)
InChIKeyCNJHNAILYAGVJU-UHFFFAOYSA-N
XLogP2.54
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.54
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-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 10202769) is N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is Cc1cc(COc2ccc(N3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is CNJHNAILYAGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-12-15(18-4-2-3-5-19(18)22-14)13-29-17-8-6-16(7-9-17)24-20(21(25)23-26)10-11-30(24,27)28/h2-9,12,20,26H,10-11,13H2,1H3,(H,23,25).
What are the key properties of N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10202769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).