N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine

C16H21N3 — CID 55054842

IUPACN-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine
SMILESCNCc1cc(N2CCCC2C)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-12-6-5-9-19(12)16-10-13(11-17-2)14-7-3-4-8-15(14)18-16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3
InChIKeyBQYRVBNDVMXMEG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.94
Rot. Bonds3

About N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine

N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine (PubChem CID 55054842) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine
PubChem CID55054842
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine
SMILESCNCc1cc(N2CCCC2C)nc2ccccc12
InChIInChI=1S/C16H21N3/c1-12-6-5-9-19(12)16-10-13(11-17-2)14-7-3-4-8-15(14)18-16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3
InChIKeyBQYRVBNDVMXMEG-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine (CID 55054842) is N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine is CNCc1cc(N2CCCC2C)nc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The InChIKey is BQYRVBNDVMXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-5-9-19(12)16-10-13(11-17-2)14-7-3-4-8-15(14)18-16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine is sourced from PubChem (CID 55054842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).