4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C24H30N2O6S — CID 20620474

IUPAC4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCN3CCCc4ccccc43)cc2)CCOCC1
InChIInChI=1S/C24H30N2O6S/c27-23(25-28)24(12-17-31-18-13-24)33(29,30)21-10-8-20(9-11-21)32-16-4-15-26-14-3-6-19-5-1-2-7-22(19)26/h1-2,5,7-11,28H,3-4,6,12-18H2,(H,25,27)
InChIKeyYEIIXRFGZNXZSD-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.74
Rot. Bonds8

About 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620474) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620474
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCN3CCCc4ccccc43)cc2)CCOCC1
InChIInChI=1S/C24H30N2O6S/c27-23(25-28)24(12-17-31-18-13-24)33(29,30)21-10-8-20(9-11-21)32-16-4-15-26-14-3-6-19-5-1-2-7-22(19)26/h1-2,5,7-11,28H,3-4,6,12-18H2,(H,25,27)
InChIKeyYEIIXRFGZNXZSD-UHFFFAOYSA-N
XLogP2.74
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620686
4-[4-[5-(3,4-dihydro-2H-quinolin-1-yl)pentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 162305783
4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620402
4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620482
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620403
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10207036
4-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10206781
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620474) is 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCN3CCCc4ccccc43)cc2)CCOCC1.
What is the InChIKey of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is YEIIXRFGZNXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c27-23(25-28)24(12-17-31-18-13-24)33(29,30)21-10-8-20(9-11-21)32-16-4-15-26-14-3-6-19-5-1-2-7-22(19)26/h1-2,5,7-11,28H,3-4,6,12-18H2,(H,25,27).
What are the key properties of 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).