4-chloroquinoline-3-sulfinate

C9H5ClNO2S- — CID 68729920

IUPAC4-chloroquinoline-3-sulfinate
SMILESO=S([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c10-9-6-3-1-2-4-7(6)11-5-8(9)14(12)13/h1-5H,(H,12,13)/p-1
InChIKeyBOBDOOBYDCKDFL-UHFFFAOYSA-M
MW226.66 g/mol
LogP2.13
Rot. Bonds1

About 4-chloroquinoline-3-sulfinate

4-chloroquinoline-3-sulfinate (PubChem CID 68729920) has the molecular formula C9H5ClNO2S- and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-chloroquinoline-3-sulfinate.

Molecular Properties

Compound Name4-chloroquinoline-3-sulfinate
PubChem CID68729920
Molecular FormulaC9H5ClNO2S-
Molecular Weight226.66 g/mol
Exact Mass225.97
IUPAC Name4-chloroquinoline-3-sulfinate
SMILESO=S([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2S/c10-9-6-3-1-2-4-7(6)11-5-8(9)14(12)13/h1-5H,(H,12,13)/p-1
InChIKeyBOBDOOBYDCKDFL-UHFFFAOYSA-M
XLogP2.13
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoroquinoline
CID 22284824
4-chloro-3-nitroquinoline;ethane
CID 90799881
N-(4-chloroquinolin-3-yl)formamide
CID 86227468
3-chloroquinoline-4-carboxylic acid
CID 22158738
4-chloro-N-methylquinoline-3-sulfonamide
CID 15643029
4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
CID 11991480
4-chloro-N-pyrimidin-2-ylquinolin-3-amine
CID 42598988
(4-chloroquinolin-3-yl)methylidenehydrazine
CID 1480737
4-chloro-N-ethylquinoline-3-sulfonamide
CID 15643030
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
CID 86709600
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
CID 44590767
2H-indazole-3-sulfinate
CID 67246047

Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline-3-sulfinate?
The IUPAC name of 4-chloroquinoline-3-sulfinate (CID 68729920) is 4-chloroquinoline-3-sulfinate.
What is the SMILES notation for 4-chloroquinoline-3-sulfinate?
The canonical SMILES for 4-chloroquinoline-3-sulfinate is O=S([O-])c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloroquinoline-3-sulfinate?
The InChIKey is BOBDOOBYDCKDFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6ClNO2S/c10-9-6-3-1-2-4-7(6)11-5-8(9)14(12)13/h1-5H,(H,12,13)/p-1.
What are the key properties of 4-chloroquinoline-3-sulfinate?
4-chloroquinoline-3-sulfinate has a molecular weight of 226.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline-3-sulfinate is sourced from PubChem (CID 68729920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).