N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

C16H15ClN2S — CID 857444

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc2nc(Cl)c(CNCc3cccs3)cc2c1
InChIInChI=1S/C16H15ClN2S/c1-11-4-5-15-12(7-11)8-13(16(17)19-15)9-18-10-14-3-2-6-20-14/h2-8,18H,9-10H2,1H3
InChIKeyFDCJGGGIXJYIIW-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.55
Rot. Bonds4

About N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 857444) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID857444
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1ccc2nc(Cl)c(CNCc3cccs3)cc2c1
InChIInChI=1S/C16H15ClN2S/c1-11-4-5-15-12(7-11)8-13(16(17)19-15)9-18-10-14-3-2-6-20-14/h2-8,18H,9-10H2,1H3
InChIKeyFDCJGGGIXJYIIW-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 857444) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1ccc2nc(Cl)c(CNCc3cccs3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is FDCJGGGIXJYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11-4-5-15-12(7-11)8-13(16(17)19-15)9-18-10-14-3-2-6-20-14/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 302.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 857444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).