N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C27H18F3N5O2 — CID 58396730

IUPACN-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ncccc2-c2ccncn2)c2ncccc12
InChIInChI=1S/C27H18F3N5O2/c28-27(29,30)18-5-1-4-17(14-18)15-24(36)35-22-8-9-23(25-19(22)6-2-11-32-25)37-26-20(7-3-12-33-26)21-10-13-31-16-34-21/h1-14,16H,15H2,(H,35,36)
InChIKeyPRXFDIOWXTWUED-UHFFFAOYSA-N
MW501.47 g/mol
LogP6.08
Rot. Bonds6

About N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58396730) has the molecular formula C27H18F3N5O2 and a molecular weight of 501.47 g/mol. Its IUPAC name is N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID58396730
Molecular FormulaC27H18F3N5O2
Molecular Weight501.47 g/mol
Exact Mass501.14
IUPAC NameN-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ncccc2-c2ccncn2)c2ncccc12
InChIInChI=1S/C27H18F3N5O2/c28-27(29,30)18-5-1-4-17(14-18)15-24(36)35-22-8-9-23(25-19(22)6-2-11-32-25)37-26-20(7-3-12-33-26)21-10-13-31-16-34-21/h1-14,16H,15H2,(H,35,36)
InChIKeyPRXFDIOWXTWUED-UHFFFAOYSA-N
XLogP6.08
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.47
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 58396730) is N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ncccc2-c2ccncn2)c2ncccc12.
What is the InChIKey of N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PRXFDIOWXTWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N5O2/c28-27(29,30)18-5-1-4-17(14-18)15-24(36)35-22-8-9-23(25-19(22)6-2-11-32-25)37-26-20(7-3-12-33-26)21-10-13-31-16-34-21/h1-14,16H,15H2,(H,35,36).
What are the key properties of N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 501.47 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]quinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58396730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).