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

C25H32N2O6S — CID 20620686

IUPAC4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCCN3CCCc4ccccc43)cc2)CCOCC1
InChIInChI=1S/C25H32N2O6S/c28-24(26-29)25(13-18-32-19-14-25)34(30,31)22-11-9-21(10-12-22)33-17-4-3-15-27-16-5-7-20-6-1-2-8-23(20)27/h1-2,6,8-12,29H,3-5,7,13-19H2,(H,26,28)
InChIKeyPFWQHEIRTTVHME-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.13
Rot. Bonds9

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

4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620686) has the molecular formula C25H32N2O6S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620686
Molecular FormulaC25H32N2O6S
Molecular Weight488.61 g/mol
Exact Mass488.20
IUPAC Name4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCCN3CCCc4ccccc43)cc2)CCOCC1
InChIInChI=1S/C25H32N2O6S/c28-24(26-29)25(13-18-32-19-14-25)34(30,31)22-11-9-21(10-12-22)33-17-4-3-15-27-16-5-7-20-6-1-2-8-23(20)27/h1-2,6,8-12,29H,3-5,7,13-19H2,(H,26,28)
InChIKeyPFWQHEIRTTVHME-UHFFFAOYSA-N
XLogP3.13
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.13
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-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620474
4-[4-[5-(3,4-dihydro-2H-quinolin-1-yl)pentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 162305783
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
4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620402
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620482
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620403
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-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620686) is 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCCN3CCCc4ccccc43)cc2)CCOCC1.
What is the InChIKey of 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is PFWQHEIRTTVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6S/c28-24(26-29)25(13-18-32-19-14-25)34(30,31)22-11-9-21(10-12-22)33-17-4-3-15-27-16-5-7-20-6-1-2-8-23(20)27/h1-2,6,8-12,29H,3-5,7,13-19H2,(H,26,28).
What are the key properties of 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)butoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).