N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide

C22H24N4O4S — CID 130293043

IUPACN-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)NC3(C(=O)NO)CN(C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C22H24N4O4S/c1-15-11-16(19-5-3-4-6-20(19)23-15)12-30-17-7-9-18(10-8-17)31(29)25-22(21(27)24-28)13-26(2)14-22/h3-11,25,28H,12-14H2,1-2H3,(H,24,27)
InChIKeyWJPJRZKVBUPDNT-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.92
Rot. Bonds7

About N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide

N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide (PubChem CID 130293043) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide
PubChem CID130293043
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)NC3(C(=O)NO)CN(C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C22H24N4O4S/c1-15-11-16(19-5-3-4-6-20(19)23-15)12-30-17-7-9-18(10-8-17)31(29)25-22(21(27)24-28)13-26(2)14-22/h3-11,25,28H,12-14H2,1-2H3,(H,24,27)
InChIKeyWJPJRZKVBUPDNT-UHFFFAOYSA-N
XLogP1.92
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.92
H-Bond Donors ≤ 53
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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Related Compounds

1-(3,3-dimethylbutanoyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide
CID 130282854
ethyl 3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]-3-(2-oxoethyl)azetidine-1-carboxylate
CID 130282803
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
4-[(2S)-1-(hydroxyamino)-1-oxo-3-(sulfonylamino)propan-2-yl]piperazine-1-carboxylic acid;2-methyl-4-(phenoxymethyl)quinoline
CID 87185278
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
methyl 3-[2-(hydroxyamino)-2-oxoethyl]-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidine-1-carboxylate
CID 130273576

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide (CID 130293043) is N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide is Cc1cc(COc2ccc(S(=O)NC3(C(=O)NO)CN(C)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide?
The InChIKey is WJPJRZKVBUPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-11-16(19-5-3-4-6-20(19)23-15)12-30-17-7-9-18(10-8-17)31(29)25-22(21(27)24-28)13-26(2)14-22/h3-11,25,28H,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide?
N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfinylamino]azetidine-3-carboxamide is sourced from PubChem (CID 130293043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).