N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide

C26H28N2O6S — CID 23017979

IUPACN-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCOCC3)N(O)C=O)cc2)c2ccccc2n1
InChIInChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
InChIKeyQSRYPQMSBYPAQC-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.85
Rot. Bonds9

About N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide

N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide (PubChem CID 23017979) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
PubChem CID23017979
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC NameN-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCOCC3)N(O)C=O)cc2)c2ccccc2n1
InChIInChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
InChIKeyQSRYPQMSBYPAQC-UHFFFAOYSA-N
XLogP3.85
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-tert-butylpiperidin-4-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]-N-hydroxyformamide
CID 101364306
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(thian-4-ylidene)propan-2-yl]acetamide
CID 23017974
1-(1,4-dioxaspiro[4.5]decan-8-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-ol
CID 68825781
N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
CID 142241593
5-[1-cyclopentyl-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 22032802
N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
CID 101337934
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]sulfonyl-3-ethylhexan-2-yl]-N-hydroxyformamide
CID 142219394
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
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
1-formyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 87586652

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The IUPAC name of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide (CID 23017979) is N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The canonical SMILES for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide is Cc1cc(COc2ccc(S(=O)(=O)CC(C=C3CCOCC3)N(O)C=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
The InChIKey is QSRYPQMSBYPAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3.
What are the key properties of N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide?
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide has a molecular weight of 496.59 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide is sourced from PubChem (CID 23017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).