N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine

C16H18N4 — CID 79985482

IUPACN-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-17-8-7-14-11-20(12-19-14)10-13-6-9-18-16-5-3-2-4-15(13)16/h2-6,9,11-12,17H,7-8,10H2,1H3
InChIKeyJACICOVECPNJQV-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine

N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 79985482) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID79985482
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-17-8-7-14-11-20(12-19-14)10-13-6-9-18-16-5-3-2-4-15(13)16/h2-6,9,11-12,17H,7-8,10H2,1H3
InChIKeyJACICOVECPNJQV-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine 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 N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine (CID 79985482) is N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine is CNCCc1cn(Cc2ccnc3ccccc23)cn1.
What is the InChIKey of N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is JACICOVECPNJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-17-8-7-14-11-20(12-19-14)10-13-6-9-18-16-5-3-2-4-15(13)16/h2-6,9,11-12,17H,7-8,10H2,1H3.
What are the key properties of N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine?
N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(quinolin-4-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).