N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C24H19F3N4O4 — CID 70853158

About N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 70853158) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
• PubChem CID: 70853158
• Molecular Formula: C24H19F3N4O4
• Molecular Weight: 484.43 g/mol
• Exact Mass: 484.14
• IUPAC Name: N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
• SMILES: O=C(Nc1cncc(OCC(O)CO)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
• InChI: InChI=1S/C24H19F3N4O4/c25-24(26,27)16-5-1-4-15(9-16)18-6-2-3-14-7-8-19(29-22(14)18)23(34)31-20-10-28-11-21(30-20)35-13-17(33)12-32/h1-11,17,32-33H,12-13H2,(H,30,31,34)
• InChIKey: VSZBLJANZLAFJP-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 117.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.43
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?

The IUPAC name of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 70853158) is N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

What is the SMILES notation for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?

The canonical SMILES for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1cncc(OCC(O)CO)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1.

What is the InChIKey of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?

The InChIKey is VSZBLJANZLAFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c25-24(26,27)16-5-1-4-15(9-16)18-6-2-3-14-7-8-19(29-22(14)18)23(34)31-20-10-28-11-21(30-20)35-13-17(33)12-32/h1-11,17,32-33H,12-13H2,(H,30,31,34).

What are the key properties of N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?

N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).