6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine

C15H17ClN2S — CID 79957367

IUPAC6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine
SMILESCC1SCCCC1Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H17ClN2S/c1-10-13(5-3-7-19-10)18-14-9-12(16)8-11-4-2-6-17-15(11)14/h2,4,6,8-10,13,18H,3,5,7H2,1H3
InChIKeyZWOZDJYCOQWNGL-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.58
Rot. Bonds2

About 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine

6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine (PubChem CID 79957367) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine
PubChem CID79957367
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine
SMILESCC1SCCCC1Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H17ClN2S/c1-10-13(5-3-7-19-10)18-14-9-12(16)8-11-4-2-6-17-15(11)14/h2,4,6,8-10,13,18H,3,5,7H2,1H3
InChIKeyZWOZDJYCOQWNGL-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine?
The IUPAC name of 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine (CID 79957367) is 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine?
The canonical SMILES for 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine is CC1SCCCC1Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine?
The InChIKey is ZWOZDJYCOQWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-13(5-3-7-19-10)18-14-9-12(16)8-11-4-2-6-17-15(11)14/h2,4,6,8-10,13,18H,3,5,7H2,1H3.
What are the key properties of 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine?
6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine has a molecular weight of 292.83 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylthian-3-yl)quinolin-8-amine is sourced from PubChem (CID 79957367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).