N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide

C22H15F3N4O2 — CID 16747961

IUPACN-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C22H15F3N4O2/c1-13(30)28-19-10-7-15-3-2-4-18(21(15)29-19)31-20-11-17(26-12-27-20)14-5-8-16(9-6-14)22(23,24)25/h2-12H,1H3,(H,28,29,30)
InChIKeyWQDDBWMJCNRULN-UHFFFAOYSA-N
MW424.38 g/mol
LogP5.46
Rot. Bonds4

About N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide

N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide (PubChem CID 16747961) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide
PubChem CID16747961
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C22H15F3N4O2/c1-13(30)28-19-10-7-15-3-2-4-18(21(15)29-19)31-20-11-17(26-12-27-20)14-5-8-16(9-6-14)22(23,24)25/h2-12H,1H3,(H,28,29,30)
InChIKeyWQDDBWMJCNRULN-UHFFFAOYSA-N
XLogP5.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide?
The IUPAC name of N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide (CID 16747961) is N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide.
What is the SMILES notation for N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide?
The canonical SMILES for N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide is CC(=O)Nc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1.
What is the InChIKey of N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide?
The InChIKey is WQDDBWMJCNRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-13(30)28-19-10-7-15-3-2-4-18(21(15)29-19)31-20-11-17(26-12-27-20)14-5-8-16(9-6-14)22(23,24)25/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide?
N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide has a molecular weight of 424.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-yl]acetamide is sourced from PubChem (CID 16747961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).