1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine

C17H15ClN2 — CID 81231599

IUPAC1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-7-15(14)18)13-9-8-12-5-4-10-20-16(12)11-13/h2-11,17,19H,1H3
InChIKeyQFUYTGBSRCSTOW-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.20
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine

1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 81231599) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID81231599
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-7-15(14)18)13-9-8-12-5-4-10-20-16(12)11-13/h2-11,17,19H,1H3
InChIKeyQFUYTGBSRCSTOW-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine 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 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine (CID 81231599) is 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine is CNC(c1ccc2cccnc2c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is QFUYTGBSRCSTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-19-17(14-6-2-3-7-15(14)18)13-9-8-12-5-4-10-20-16(12)11-13/h2-11,17,19H,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 81231599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).