N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide

C22H23N3O5S — CID 142241593

IUPACN-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
SMILESCc1cc(COc2ccc(S(=O)(=O)C3CNCC3N(O)C=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O5S/c1-15-10-16(19-4-2-3-5-20(19)24-15)13-30-17-6-8-18(9-7-17)31(28,29)22-12-23-11-21(22)25(27)14-26/h2-10,14,21-23,27H,11-13H2,1H3
InChIKeyXTVAXKHCCMLDHR-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.08
Rot. Bonds7

About N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide

N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide (PubChem CID 142241593) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
PubChem CID142241593
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
SMILESCc1cc(COc2ccc(S(=O)(=O)C3CNCC3N(O)C=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O5S/c1-15-10-16(19-4-2-3-5-20(19)24-15)13-30-17-6-8-18(9-7-17)31(28,29)22-12-23-11-21(22)25(27)14-26/h2-10,14,21-23,27H,11-13H2,1H3
InChIKeyXTVAXKHCCMLDHR-UHFFFAOYSA-N
XLogP2.08
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
(3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 68817366
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
CID 23017979
tert-butyl (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylate;hydrochloride
CID 68818815
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid
CID 150901889
1-formyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 87586652
N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379189
N-[1-(1-tert-butylpiperidin-4-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]-N-hydroxyformamide
CID 101364306
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 68819595
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide?
The IUPAC name of N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide (CID 142241593) is N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide?
The canonical SMILES for N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide is Cc1cc(COc2ccc(S(=O)(=O)C3CNCC3N(O)C=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide?
The InChIKey is XTVAXKHCCMLDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-10-16(19-4-2-3-5-20(19)24-15)13-30-17-6-8-18(9-7-17)31(28,29)22-12-23-11-21(22)25(27)14-26/h2-10,14,21-23,27H,11-13H2,1H3.
What are the key properties of N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide?
N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide has a molecular weight of 441.51 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide is sourced from PubChem (CID 142241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).