3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline

C15H10Cl2N2O3S — CID 164563480

IUPAC3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
SMILESO=S(O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3S/c16-12-6-10(19-23(20)21)7-13(17)15(12)22-11-5-9-3-1-2-4-14(9)18-8-11/h1-8,19H,(H,20,21)
InChIKeyLBMSOHZASABSFS-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.88
Rot. Bonds4

About 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline

3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline (PubChem CID 164563480) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
PubChem CID164563480
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
SMILESO=S(O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O3S/c16-12-6-10(19-23(20)21)7-13(17)15(12)22-11-5-9-3-1-2-4-14(9)18-8-11/h1-8,19H,(H,20,21)
InChIKeyLBMSOHZASABSFS-UHFFFAOYSA-N
XLogP4.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline?
The IUPAC name of 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline (CID 164563480) is 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline.
What is the SMILES notation for 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline?
The canonical SMILES for 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline is O=S(O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline?
The InChIKey is LBMSOHZASABSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c16-12-6-10(19-23(20)21)7-13(17)15(12)22-11-5-9-3-1-2-4-14(9)18-8-11/h1-8,19H,(H,20,21).
What are the key properties of 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline?
3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline has a molecular weight of 369.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline is sourced from PubChem (CID 164563480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).