N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine

C20H21F3N2 — CID 175308756

IUPACN-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NC3C4CC5CC(C4)CC3C5)ccnc2c1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-1-2-16-17(3-4-24-18(16)10-15)25-19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,24,25)
InChIKeyOKEPRQHTVBFPPW-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.49
Rot. Bonds2

About N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine

N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 175308756) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID175308756
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NC3C4CC5CC(C4)CC3C5)ccnc2c1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-1-2-16-17(3-4-24-18(16)10-15)25-19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,24,25)
InChIKeyOKEPRQHTVBFPPW-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-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-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine (CID 175308756) is N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NC3C4CC5CC(C4)CC3C5)ccnc2c1.
What is the InChIKey of N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is OKEPRQHTVBFPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2/c21-20(22,23)15-1-2-16-17(3-4-24-18(16)10-15)25-19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,24,25).
What are the key properties of N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine?
N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 346.40 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 175308756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).