8-(2-chlorophenyl)sulfanylquinolin-5-amine

C15H11ClN2S — CID 43450351

IUPAC8-(2-chlorophenyl)sulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccc2Cl)c2ncccc12
InChIInChI=1S/C15H11ClN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12(17)10-4-3-9-18-15(10)14/h1-9H,17H2
InChIKeyDQTRJFMDPFKLSE-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.62
Rot. Bonds2

About 8-(2-chlorophenyl)sulfanylquinolin-5-amine

8-(2-chlorophenyl)sulfanylquinolin-5-amine (PubChem CID 43450351) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfanylquinolin-5-amine.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfanylquinolin-5-amine
PubChem CID43450351
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name8-(2-chlorophenyl)sulfanylquinolin-5-amine
SMILESNc1ccc(Sc2ccccc2Cl)c2ncccc12
InChIInChI=1S/C15H11ClN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12(17)10-4-3-9-18-15(10)14/h1-9H,17H2
InChIKeyDQTRJFMDPFKLSE-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.62
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-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
CID 43449691
3-chloro-4-quinolin-8-ylsulfanylaniline
CID 68885824
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135876353
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
8-[(3-chloro-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141076
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
CID 55228286
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
(8-aminoquinolin-5-yl) thiocyanate
CID 115327856

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfanylquinolin-5-amine?
The IUPAC name of 8-(2-chlorophenyl)sulfanylquinolin-5-amine (CID 43450351) is 8-(2-chlorophenyl)sulfanylquinolin-5-amine.
What is the SMILES notation for 8-(2-chlorophenyl)sulfanylquinolin-5-amine?
The canonical SMILES for 8-(2-chlorophenyl)sulfanylquinolin-5-amine is Nc1ccc(Sc2ccccc2Cl)c2ncccc12.
What is the InChIKey of 8-(2-chlorophenyl)sulfanylquinolin-5-amine?
The InChIKey is DQTRJFMDPFKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-11-5-1-2-6-13(11)19-14-8-7-12(17)10-4-3-9-18-15(10)14/h1-9H,17H2.
What are the key properties of 8-(2-chlorophenyl)sulfanylquinolin-5-amine?
8-(2-chlorophenyl)sulfanylquinolin-5-amine has a molecular weight of 286.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfanylquinolin-5-amine is sourced from PubChem (CID 43450351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).