5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine

C20H12ClF3N4 — CID 137430250

IUPAC5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(F)(F)F
InChIInChI=1S/C20H12ClF3N4/c21-14-10-13(9-12-7-4-8-26-15(12)14)17-16(11-5-2-1-3-6-11)28-19(25)18(27-17)20(22,23)24/h1-10H,(H2,25,28)
InChIKeySMYBZCPAUSGQTC-UHFFFAOYSA-N
MW400.79 g/mol
LogP5.61
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 137430250) has the molecular formula C20H12ClF3N4 and a molecular weight of 400.79 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
PubChem CID137430250
Molecular FormulaC20H12ClF3N4
Molecular Weight400.79 g/mol
Exact Mass400.07
IUPAC Name5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(F)(F)F
InChIInChI=1S/C20H12ClF3N4/c21-14-10-13(9-12-7-4-8-26-15(12)14)17-16(11-5-2-1-3-6-11)28-19(25)18(27-17)20(22,23)24/h1-10H,(H2,25,28)
InChIKeySMYBZCPAUSGQTC-UHFFFAOYSA-N
XLogP5.61
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.79
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine (CID 137430250) is 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(F)(F)F.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is SMYBZCPAUSGQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4/c21-14-10-13(9-12-7-4-8-26-15(12)14)17-16(11-5-2-1-3-6-11)28-19(25)18(27-17)20(22,23)24/h1-10H,(H2,25,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 400.79 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-phenyl-3-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 137430250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).