7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine

C15H19ClN2OS — CID 166271125

IUPAC7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine
SMILESCc1cc2c(NC(C)CCS(C)=O)ccnc2cc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10-8-12-14(18-11(2)5-7-20(3)19)4-6-17-15(12)9-13(10)16/h4,6,8-9,11H,5,7H2,1-3H3,(H,17,18)
InChIKeyYPLVQCRTJDJBBQ-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.77
Rot. Bonds5

About 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine

7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine (PubChem CID 166271125) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine
PubChem CID166271125
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine
SMILESCc1cc2c(NC(C)CCS(C)=O)ccnc2cc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10-8-12-14(18-11(2)5-7-20(3)19)4-6-17-15(12)9-13(10)16/h4,6,8-9,11H,5,7H2,1-3H3,(H,17,18)
InChIKeyYPLVQCRTJDJBBQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine (CID 166271125) is 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine is Cc1cc2c(NC(C)CCS(C)=O)ccnc2cc1Cl.
What is the InChIKey of 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine?
The InChIKey is YPLVQCRTJDJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10-8-12-14(18-11(2)5-7-20(3)19)4-6-17-15(12)9-13(10)16/h4,6,8-9,11H,5,7H2,1-3H3,(H,17,18).
What are the key properties of 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine?
7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine has a molecular weight of 310.85 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 166271125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).