4-(2-bromophenyl)sulfanylquinolin-7-amine

C15H11BrN2S — CID 103002516

IUPAC4-(2-bromophenyl)sulfanylquinolin-7-amine
SMILESNc1ccc2c(Sc3ccccc3Br)ccnc2c1
InChIInChI=1S/C15H11BrN2S/c16-12-3-1-2-4-15(12)19-14-7-8-18-13-9-10(17)5-6-11(13)14/h1-9H,17H2
InChIKeyCIVAKWHBXXTJGV-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.73
Rot. Bonds2

About 4-(2-bromophenyl)sulfanylquinolin-7-amine

4-(2-bromophenyl)sulfanylquinolin-7-amine (PubChem CID 103002516) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanylquinolin-7-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanylquinolin-7-amine
PubChem CID103002516
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name4-(2-bromophenyl)sulfanylquinolin-7-amine
SMILESNc1ccc2c(Sc3ccccc3Br)ccnc2c1
InChIInChI=1S/C15H11BrN2S/c16-12-3-1-2-4-15(12)19-14-7-8-18-13-9-10(17)5-6-11(13)14/h1-9H,17H2
InChIKeyCIVAKWHBXXTJGV-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanylquinolin-7-amine?
The IUPAC name of 4-(2-bromophenyl)sulfanylquinolin-7-amine (CID 103002516) is 4-(2-bromophenyl)sulfanylquinolin-7-amine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanylquinolin-7-amine?
The canonical SMILES for 4-(2-bromophenyl)sulfanylquinolin-7-amine is Nc1ccc2c(Sc3ccccc3Br)ccnc2c1.
What is the InChIKey of 4-(2-bromophenyl)sulfanylquinolin-7-amine?
The InChIKey is CIVAKWHBXXTJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-12-3-1-2-4-15(12)19-14-7-8-18-13-9-10(17)5-6-11(13)14/h1-9H,17H2.
What are the key properties of 4-(2-bromophenyl)sulfanylquinolin-7-amine?
4-(2-bromophenyl)sulfanylquinolin-7-amine has a molecular weight of 331.24 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanylquinolin-7-amine is sourced from PubChem (CID 103002516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).