7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

C21H12F6N4 — CID 46203537

IUPAC7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)
InChIKeyZZFNGMUTCXRSSB-UHFFFAOYSA-N
MW434.34 g/mol
LogP6.47
Rot. Bonds3

About 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (PubChem CID 46203537) has the molecular formula C21H12F6N4 and a molecular weight of 434.34 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
PubChem CID46203537
Molecular FormulaC21H12F6N4
Molecular Weight434.34 g/mol
Exact Mass434.10
IUPAC Name7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)
InChIKeyZZFNGMUTCXRSSB-UHFFFAOYSA-N
XLogP6.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]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 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (CID 46203537) is 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The InChIKey is ZZFNGMUTCXRSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31).
What are the key properties of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine has a molecular weight of 434.34 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 46203537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).