N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine

C21H17F3N4 — CID 133400484

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCc3ccc(Cn4ccnc4)cc3)ccnc2c1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)17-5-6-18-19(7-8-26-20(18)11-17)27-12-15-1-3-16(4-2-15)13-28-10-9-25-14-28/h1-11,14H,12-13H2,(H,26,27)
InChIKeyQOXKSRCCUWXTOC-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.11
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133400484) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133400484
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCc3ccc(Cn4ccnc4)cc3)ccnc2c1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)17-5-6-18-19(7-8-26-20(18)11-17)27-12-15-1-3-16(4-2-15)13-28-10-9-25-14-28/h1-11,14H,12-13H2,(H,26,27)
InChIKeyQOXKSRCCUWXTOC-UHFFFAOYSA-N
XLogP5.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-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-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine (CID 133400484) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NCc3ccc(Cn4ccnc4)cc3)ccnc2c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is QOXKSRCCUWXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c22-21(23,24)17-5-6-18-19(7-8-26-20(18)11-17)27-12-15-1-3-16(4-2-15)13-28-10-9-25-14-28/h1-11,14H,12-13H2,(H,26,27).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133400484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).