(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite

C16H11IN2OS — CID 155077115

IUPAC(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite
SMILESNc1c(C(=O)c2ccccc2)ccc2c(SI)ccnc12
InChIInChI=1S/C16H11IN2OS/c17-21-13-8-9-19-15-11(13)6-7-12(14(15)18)16(20)10-4-2-1-3-5-10/h1-9H,18H2
InChIKeyCIIUPCPORJKDMR-UHFFFAOYSA-N
MW406.25 g/mol
LogP4.49
Rot. Bonds3

About (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite

(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite (PubChem CID 155077115) has the molecular formula C16H11IN2OS and a molecular weight of 406.25 g/mol. Its IUPAC name is (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite.

Molecular Properties

Compound Name(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite
PubChem CID155077115
Molecular FormulaC16H11IN2OS
Molecular Weight406.25 g/mol
Exact Mass405.96
IUPAC Name(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite
SMILESNc1c(C(=O)c2ccccc2)ccc2c(SI)ccnc12
InChIInChI=1S/C16H11IN2OS/c17-21-13-8-9-19-15-11(13)6-7-12(14(15)18)16(20)10-4-2-1-3-5-10/h1-9H,18H2
InChIKeyCIIUPCPORJKDMR-UHFFFAOYSA-N
XLogP4.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite?
The IUPAC name of (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite (CID 155077115) is (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite.
What is the SMILES notation for (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite?
The canonical SMILES for (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite is Nc1c(C(=O)c2ccccc2)ccc2c(SI)ccnc12.
What is the InChIKey of (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite?
The InChIKey is CIIUPCPORJKDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2OS/c17-21-13-8-9-19-15-11(13)6-7-12(14(15)18)16(20)10-4-2-1-3-5-10/h1-9H,18H2.
What are the key properties of (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite?
(8-amino-7-benzoylquinolin-4-yl) thiohypoiodite has a molecular weight of 406.25 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-7-benzoylquinolin-4-yl) thiohypoiodite is sourced from PubChem (CID 155077115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).