8-(3-hydroxypropyl)quinoline-5-sulfonic acid

C12H13NO4S — CID 151309738

IUPAC8-(3-hydroxypropyl)quinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(CCCO)c2ncccc12
InChIInChI=1S/C12H13NO4S/c14-8-2-3-9-5-6-11(18(15,16)17)10-4-1-7-13-12(9)10/h1,4-7,14H,2-3,8H2,(H,15,16,17)
InChIKeyOEEKJTSJIHZODU-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.41
Rot. Bonds4

About 8-(3-hydroxypropyl)quinoline-5-sulfonic acid

8-(3-hydroxypropyl)quinoline-5-sulfonic acid (PubChem CID 151309738) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 8-(3-hydroxypropyl)quinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-(3-hydroxypropyl)quinoline-5-sulfonic acid
PubChem CID151309738
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name8-(3-hydroxypropyl)quinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1ccc(CCCO)c2ncccc12
InChIInChI=1S/C12H13NO4S/c14-8-2-3-9-5-6-11(18(15,16)17)10-4-1-7-13-12(9)10/h1,4-7,14H,2-3,8H2,(H,15,16,17)
InChIKeyOEEKJTSJIHZODU-UHFFFAOYSA-N
XLogP1.41
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 173241757
CID 173241757
8-nitrosoquinoline-5-sulfonic acid
CID 121342160
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
CID 135788850
CID 135788850
4,5-dibutylnaphthalene-1-sulfonic acid
CID 54390432
4,5-di(tetradecyl)naphthalene-1-sulfonic acid
CID 101319199
naphthalene-1,5-disulfonic acid;quinolin-8-amine;zinc
CID 175008828
3-quinolin-4-ylpropan-1-ol
CID 21218471
8-hydroxyquinoline-5-sulfonate
CID 5260546
4,8-dipentylnaphthalene-1-sulfonic acid
CID 101322532
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxypropyl)quinoline-5-sulfonic acid?
The IUPAC name of 8-(3-hydroxypropyl)quinoline-5-sulfonic acid (CID 151309738) is 8-(3-hydroxypropyl)quinoline-5-sulfonic acid.
What is the SMILES notation for 8-(3-hydroxypropyl)quinoline-5-sulfonic acid?
The canonical SMILES for 8-(3-hydroxypropyl)quinoline-5-sulfonic acid is O=S(=O)(O)c1ccc(CCCO)c2ncccc12.
What is the InChIKey of 8-(3-hydroxypropyl)quinoline-5-sulfonic acid?
The InChIKey is OEEKJTSJIHZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-8-2-3-9-5-6-11(18(15,16)17)10-4-1-7-13-12(9)10/h1,4-7,14H,2-3,8H2,(H,15,16,17).
What are the key properties of 8-(3-hydroxypropyl)quinoline-5-sulfonic acid?
8-(3-hydroxypropyl)quinoline-5-sulfonic acid has a molecular weight of 267.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxypropyl)quinoline-5-sulfonic acid is sourced from PubChem (CID 151309738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).