N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine

C21H15F3N4 — CID 70852923

IUPACN-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1cccc(-c2cccc3ccc(CNc4cnccn4)nc23)c1
InChIInChI=1S/C21H15F3N4/c22-21(23,24)16-5-1-4-15(11-16)18-6-2-3-14-7-8-17(28-20(14)18)12-27-19-13-25-9-10-26-19/h1-11,13H,12H2,(H,26,27)
InChIKeySNTSAXTWFJINII-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.32
Rot. Bonds4

About N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine

N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine (PubChem CID 70852923) has the molecular formula C21H15F3N4 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine
PubChem CID70852923
Molecular FormulaC21H15F3N4
Molecular Weight380.37 g/mol
Exact Mass380.12
IUPAC NameN-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1cccc(-c2cccc3ccc(CNc4cnccn4)nc23)c1
InChIInChI=1S/C21H15F3N4/c22-21(23,24)16-5-1-4-15(11-16)18-6-2-3-14-7-8-17(28-20(14)18)12-27-19-13-25-9-10-26-19/h1-11,13H,12H2,(H,26,27)
InChIKeySNTSAXTWFJINII-UHFFFAOYSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine (CID 70852923) is N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine is FC(F)(F)c1cccc(-c2cccc3ccc(CNc4cnccn4)nc23)c1.
What is the InChIKey of N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine?
The InChIKey is SNTSAXTWFJINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4/c22-21(23,24)16-5-1-4-15(11-16)18-6-2-3-14-7-8-17(28-20(14)18)12-27-19-13-25-9-10-26-19/h1-11,13H,12H2,(H,26,27).
What are the key properties of N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine?
N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine has a molecular weight of 380.37 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 70852923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).