2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one

C22H16F3N3O2 — CID 20790472

IUPAC2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)(F)F)ncc12
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)14-30-21-11-18-17(13-26-21)19(29)12-20(27-15-7-3-1-4-8-15)28(18)16-9-5-2-6-10-16/h1-13,27H,14H2
InChIKeyGWHAFDUSRZYUFZ-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.07
Rot. Bonds5

About 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one

2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one (PubChem CID 20790472) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
PubChem CID20790472
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC Name2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)(F)F)ncc12
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)14-30-21-11-18-17(13-26-21)19(29)12-20(27-15-7-3-1-4-8-15)28(18)16-9-5-2-6-10-16/h1-13,27H,14H2
InChIKeyGWHAFDUSRZYUFZ-UHFFFAOYSA-N
XLogP5.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one (CID 20790472) is 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)(F)F)ncc12.
What is the InChIKey of 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The InChIKey is GWHAFDUSRZYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c23-22(24,25)14-30-21-11-18-17(13-26-21)19(29)12-20(27-15-7-3-1-4-8-15)28(18)16-9-5-2-6-10-16/h1-13,27H,14H2.
What are the key properties of 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one has a molecular weight of 411.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).