4-quinolin-3-yloxybenzenesulfinic acid

C15H11NO3S — CID 57445519

IUPAC4-quinolin-3-yloxybenzenesulfinic acid
SMILESO=S(O)c1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO3S/c17-20(18)14-7-5-12(6-8-14)19-13-9-11-3-1-2-4-15(11)16-10-13/h1-10H,(H,17,18)
InChIKeyVWKCEDAMCGVHNL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.61
Rot. Bonds3

About 4-quinolin-3-yloxybenzenesulfinic acid

4-quinolin-3-yloxybenzenesulfinic acid (PubChem CID 57445519) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-quinolin-3-yloxybenzenesulfinic acid.

Molecular Properties

Compound Name4-quinolin-3-yloxybenzenesulfinic acid
PubChem CID57445519
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-quinolin-3-yloxybenzenesulfinic acid
SMILESO=S(O)c1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NO3S/c17-20(18)14-7-5-12(6-8-14)19-13-9-11-3-1-2-4-15(11)16-10-13/h1-10H,(H,17,18)
InChIKeyVWKCEDAMCGVHNL-UHFFFAOYSA-N
XLogP3.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
CID 164563480
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
2-quinolin-3-yloxyethanol
CID 102847036
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
quinoline-3-sulfinamide
CID 167254753

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-yloxybenzenesulfinic acid?
The IUPAC name of 4-quinolin-3-yloxybenzenesulfinic acid (CID 57445519) is 4-quinolin-3-yloxybenzenesulfinic acid.
What is the SMILES notation for 4-quinolin-3-yloxybenzenesulfinic acid?
The canonical SMILES for 4-quinolin-3-yloxybenzenesulfinic acid is O=S(O)c1ccc(Oc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-quinolin-3-yloxybenzenesulfinic acid?
The InChIKey is VWKCEDAMCGVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-20(18)14-7-5-12(6-8-14)19-13-9-11-3-1-2-4-15(11)16-10-13/h1-10H,(H,17,18).
What are the key properties of 4-quinolin-3-yloxybenzenesulfinic acid?
4-quinolin-3-yloxybenzenesulfinic acid has a molecular weight of 285.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-yloxybenzenesulfinic acid is sourced from PubChem (CID 57445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).