N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine

C₁₆H₁₆N₂S — CID 105021478

About N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine

N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine (PubChem CID 105021478) has the molecular formula C₁₆H₁₆N₂S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine.

Molecular Properties

• Compound Name: N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
• PubChem CID: 105021478
• Molecular Formula: C₁₆H₁₆N₂S
• Molecular Weight: 268.38 g/mol
• Exact Mass: 268.10
• IUPAC Name: N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
• SMILES: CNC(c1ccc2cccnc2c1)c1ccc(C)s1
• InChI: InChI=1S/C16H16N2S/c1-11-5-8-15(19-11)16(17-2)13-7-6-12-4-3-9-18-14(12)10-13/h3-10,16-17H,1-2H3
• InChIKey: ACSCGDWLZUMOKN-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.38
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine?

The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine (CID 105021478) is N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine.

What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine?

The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine is CNC(c1ccc2cccnc2c1)c1ccc(C)s1.

What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine?

The InChIKey is ACSCGDWLZUMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-5-8-15(19-11)16(17-2)13-7-6-12-4-3-9-18-14(12)10-13/h3-10,16-17H,1-2H3.

What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine?

N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 105021478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105021478 — identifiers, structure, computed properties (public domain)

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