5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine

C17H11BrN2S — CID 104826652

IUPAC5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine
SMILESNc1ccc(-c2csc3c(Br)cccc23)c2cccnc12
InChIInChI=1S/C17H11BrN2S/c18-14-5-1-3-12-13(9-21-17(12)14)10-6-7-15(19)16-11(10)4-2-8-20-16/h1-9H,19H2
InChIKeyWOGTVYGTOOUHJP-UHFFFAOYSA-N
MW355.26 g/mol
LogP5.46
Rot. Bonds1

About 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine

5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine (PubChem CID 104826652) has the molecular formula C17H11BrN2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine
PubChem CID104826652
Molecular FormulaC17H11BrN2S
Molecular Weight355.26 g/mol
Exact Mass353.98
IUPAC Name5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine
SMILESNc1ccc(-c2csc3c(Br)cccc23)c2cccnc12
InChIInChI=1S/C17H11BrN2S/c18-14-5-1-3-12-13(9-21-17(12)14)10-6-7-15(19)16-11(10)4-2-8-20-16/h1-9H,19H2
InChIKeyWOGTVYGTOOUHJP-UHFFFAOYSA-N
XLogP5.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.26
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(7-bromo-1-benzothiophen-3-yl)-2,4-dimethylaniline
CID 104757901
5-(2,5-dimethylthiophen-3-yl)quinolin-8-amine
CID 104826648
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374
4-pyridin-3-ylquinolin-8-amine
CID 176514975
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
CID 104826612
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
5-methylsulfinylquinolin-8-amine
CID 164876860
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine?
The IUPAC name of 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine (CID 104826652) is 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine.
What is the SMILES notation for 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine?
The canonical SMILES for 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine is Nc1ccc(-c2csc3c(Br)cccc23)c2cccnc12.
What is the InChIKey of 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine?
The InChIKey is WOGTVYGTOOUHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2S/c18-14-5-1-3-12-13(9-21-17(12)14)10-6-7-15(19)16-11(10)4-2-8-20-16/h1-9H,19H2.
What are the key properties of 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine?
5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine has a molecular weight of 355.26 g/mol, XLogP of 5.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-1-benzothiophen-3-yl)quinolin-8-amine is sourced from PubChem (CID 104826652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).