N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine

C16H13F3N4 — CID 133433816

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(Cc1cnccn1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H13F3N4/c1-23(10-12-9-20-6-7-21-12)15-4-5-22-14-8-11(16(17,18)19)2-3-13(14)15/h2-9H,10H2,1H3
InChIKeyKBBXGPMTTRWIFG-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.68
Rot. Bonds3

About N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine

N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133433816) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133433816
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(Cc1cnccn1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H13F3N4/c1-23(10-12-9-20-6-7-21-12)15-4-5-22-14-8-11(16(17,18)19)2-3-13(14)15/h2-9H,10H2,1H3
InChIKeyKBBXGPMTTRWIFG-UHFFFAOYSA-N
XLogP3.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine 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-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine (CID 133433816) is N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine is CN(Cc1cnccn1)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is KBBXGPMTTRWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c1-23(10-12-9-20-6-7-21-12)15-4-5-22-14-8-11(16(17,18)19)2-3-13(14)15/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 318.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133433816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).