3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

C22H19N3O2S — CID 57384537

IUPAC3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12
InChIInChI=1S/C22H19N3O2S/c1-14-5-10-18(19-4-3-11-24-21(14)19)20-12-16(13-25-22(20)23)15-6-8-17(9-7-15)28(2,26)27/h3-13H,1-2H3,(H2,23,25)
InChIKeyAKHVMIQILCNDLV-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.26
Rot. Bonds3

About 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine

3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 57384537) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID57384537
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12
InChIInChI=1S/C22H19N3O2S/c1-14-5-10-18(19-4-3-11-24-21(14)19)20-12-16(13-25-22(20)23)15-6-8-17(9-7-15)28(2,26)27/h3-13H,1-2H3,(H2,23,25)
InChIKeyAKHVMIQILCNDLV-UHFFFAOYSA-N
XLogP4.26
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-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 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 57384537) is 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12.
What is the InChIKey of 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is AKHVMIQILCNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-5-10-18(19-4-3-11-24-21(14)19)20-12-16(13-25-22(20)23)15-6-8-17(9-7-15)28(2,26)27/h3-13H,1-2H3,(H2,23,25).
What are the key properties of 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 389.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 57384537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).