3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine

C16H16N2S — CID 63229105

IUPAC3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
SMILESCc1ccc(CNc2nc3ccccc3cc2C)s1
InChIInChI=1S/C16H16N2S/c1-11-9-13-5-3-4-6-15(13)18-16(11)17-10-14-8-7-12(2)19-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTWGSFKJSQGBLRM-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.53
Rot. Bonds3

About 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine

3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine (PubChem CID 63229105) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
PubChem CID63229105
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
SMILESCc1ccc(CNc2nc3ccccc3cc2C)s1
InChIInChI=1S/C16H16N2S/c1-11-9-13-5-3-4-6-15(13)18-16(11)17-10-14-8-7-12(2)19-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTWGSFKJSQGBLRM-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-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-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine (CID 63229105) is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine is Cc1ccc(CNc2nc3ccccc3cc2C)s1.
What is the InChIKey of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine?
The InChIKey is TWGSFKJSQGBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-9-13-5-3-4-6-15(13)18-16(11)17-10-14-8-7-12(2)19-14/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine?
3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine has a molecular weight of 268.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 63229105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).