8-phenyl-2-(sulfinatoamino)quinoline;zinc

C15H11N2O2SZn- — CID 174322816

IUPAC8-phenyl-2-(sulfinatoamino)quinoline;zinc
SMILESO=S([O-])Nc1ccc2cccc(-c3ccccc3)c2n1.[Zn]
InChIInChI=1S/C15H12N2O2S.Zn/c18-20(19)17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11;/h1-10H,(H,16,17)(H,18,19);/p-1
InChIKeyHUVGNOMPFCUJAQ-UHFFFAOYSA-M
MW348.72 g/mol
LogP3.11
Rot. Bonds3

About 8-phenyl-2-(sulfinatoamino)quinoline;zinc

8-phenyl-2-(sulfinatoamino)quinoline;zinc (PubChem CID 174322816) has the molecular formula C15H11N2O2SZn- and a molecular weight of 348.72 g/mol. Its IUPAC name is 8-phenyl-2-(sulfinatoamino)quinoline;zinc.

Molecular Properties

Compound Name8-phenyl-2-(sulfinatoamino)quinoline;zinc
PubChem CID174322816
Molecular FormulaC15H11N2O2SZn-
Molecular Weight348.72 g/mol
Exact Mass346.98
IUPAC Name8-phenyl-2-(sulfinatoamino)quinoline;zinc
SMILESO=S([O-])Nc1ccc2cccc(-c3ccccc3)c2n1.[Zn]
InChIInChI=1S/C15H12N2O2S.Zn/c18-20(19)17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11;/h1-10H,(H,16,17)(H,18,19);/p-1
InChIKeyHUVGNOMPFCUJAQ-UHFFFAOYSA-M
XLogP3.11
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-phenyl-2-(sulfinoamino)quinoline
CID 174322817
(8-phenylnaphthalen-1-yl) sulfite
CID 175356510
8-phenyl-2-sulfanyloxyquinoline
CID 175194288
1-phenyl-3-(sulfinatoamino)benzene
CID 57143520
mercury;8-phenylquinoline;hydrate
CID 174770535
(3-ethyl-8-phenylquinolin-2-yl)hydrazine
CID 63524029
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
CID 134169245
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
potassium azulen-1-yl sulfite
CID 174713205
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
4-naphthalen-1-yl-8-phenylquinazoline
CID 166801148
aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
CID 69091139

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-(sulfinatoamino)quinoline;zinc?
The IUPAC name of 8-phenyl-2-(sulfinatoamino)quinoline;zinc (CID 174322816) is 8-phenyl-2-(sulfinatoamino)quinoline;zinc.
What is the SMILES notation for 8-phenyl-2-(sulfinatoamino)quinoline;zinc?
The canonical SMILES for 8-phenyl-2-(sulfinatoamino)quinoline;zinc is O=S([O-])Nc1ccc2cccc(-c3ccccc3)c2n1.[Zn].
What is the InChIKey of 8-phenyl-2-(sulfinatoamino)quinoline;zinc?
The InChIKey is HUVGNOMPFCUJAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O2S.Zn/c18-20(19)17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11;/h1-10H,(H,16,17)(H,18,19);/p-1.
What are the key properties of 8-phenyl-2-(sulfinatoamino)quinoline;zinc?
8-phenyl-2-(sulfinatoamino)quinoline;zinc has a molecular weight of 348.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-(sulfinatoamino)quinoline;zinc is sourced from PubChem (CID 174322816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).