5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine

C15H10Cl2N2S — CID 43449691

IUPAC5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)c2cccnc12
InChIInChI=1S/C15H10Cl2N2S/c16-9-3-4-11(17)14(8-9)20-13-6-5-12(18)15-10(13)2-1-7-19-15/h1-8H,18H2
InChIKeyRKHHDSZOCKUAQK-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.28
Rot. Bonds2

About 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine

5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine (PubChem CID 43449691) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
PubChem CID43449691
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)c2cccnc12
InChIInChI=1S/C15H10Cl2N2S/c16-9-3-4-11(17)14(8-9)20-13-6-5-12(18)15-10(13)2-1-7-19-15/h1-8H,18H2
InChIKeyRKHHDSZOCKUAQK-UHFFFAOYSA-N
XLogP5.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.28
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

8-(2-chlorophenyl)sulfanylquinolin-5-amine
CID 43450351
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
5-(3-methylphenyl)sulfanylquinolin-8-amine
CID 61244888
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799
4-[(5-chloro-2-pyridinyl)sulfanyl]quinolin-8-amine
CID 83060634
(8-aminoquinolin-5-yl) thiocyanate
CID 115327856
2-(2,5-dichlorophenyl)sulfanyl-5-iodoaniline
CID 66082358
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
CID 83164661

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine (CID 43449691) is 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine is Nc1ccc(Sc2cc(Cl)ccc2Cl)c2cccnc12.
What is the InChIKey of 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine?
The InChIKey is RKHHDSZOCKUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-9-3-4-11(17)14(8-9)20-13-6-5-12(18)15-10(13)2-1-7-19-15/h1-8H,18H2.
What are the key properties of 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine?
5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine has a molecular weight of 321.23 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)sulfanylquinolin-8-amine is sourced from PubChem (CID 43449691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).