6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C40H26F6N8 — CID 87963794

IUPAC6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4cccnc34)n2)cc1.FC(F)(F)c1ccc(Nc2nccc(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/2C20H13F3N4/c21-20(22,23)14-6-8-15(9-7-14)26-19-25-12-10-17(27-19)16-5-1-3-13-4-2-11-24-18(13)16;21-20(22,23)14-6-8-15(9-7-14)26-18-12-24-11-17(27-18)16-5-1-3-13-4-2-10-25-19(13)16/h1-12H,(H,25,26,27);1-12H,(H,26,27)
InChIKeyIAANETZZWJZVCV-UHFFFAOYSA-N
MW732.69 g/mol
LogP10.91
Rot. Bonds6

About 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 87963794) has the molecular formula C40H26F6N8 and a molecular weight of 732.69 g/mol. Its IUPAC name is 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID87963794
Molecular FormulaC40H26F6N8
Molecular Weight732.69 g/mol
Exact Mass732.22
IUPAC Name6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4cccnc34)n2)cc1.FC(F)(F)c1ccc(Nc2nccc(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/2C20H13F3N4/c21-20(22,23)14-6-8-15(9-7-14)26-19-25-12-10-17(27-19)16-5-1-3-13-4-2-11-24-18(13)16;21-20(22,23)14-6-8-15(9-7-14)26-18-12-24-11-17(27-18)16-5-1-3-13-4-2-10-25-19(13)16/h1-12H,(H,25,26,27);1-12H,(H,26,27)
InChIKeyIAANETZZWJZVCV-UHFFFAOYSA-N
XLogP10.91
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.69
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 87963794) is 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(Nc2cncc(-c3cccc4cccnc34)n2)cc1.FC(F)(F)c1ccc(Nc2nccc(-c3cccc4cccnc34)n2)cc1.
What is the InChIKey of 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is IAANETZZWJZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13F3N4/c21-20(22,23)14-6-8-15(9-7-14)26-19-25-12-10-17(27-19)16-5-1-3-13-4-2-11-24-18(13)16;21-20(22,23)14-6-8-15(9-7-14)26-18-12-24-11-17(27-18)16-5-1-3-13-4-2-10-25-19(13)16/h1-12H,(H,25,26,27);1-12H,(H,26,27).
What are the key properties of 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 732.69 g/mol, XLogP of 10.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 87963794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).