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

C22H17F2N3O2 — CID 20790629

IUPAC2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)F)ncc12
InChIInChI=1S/C22H17F2N3O2/c23-20(24)14-29-22-11-18-17(13-25-22)19(28)12-21(26-15-7-3-1-4-8-15)27(18)16-9-5-2-6-10-16/h1-13,20,26H,14H2
InChIKeyXBWSKQWHZXRFLF-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.77
Rot. Bonds6

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

2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790629) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790629
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)F)ncc12
InChIInChI=1S/C22H17F2N3O2/c23-20(24)14-29-22-11-18-17(13-25-22)19(28)12-21(26-15-7-3-1-4-8-15)27(18)16-9-5-2-6-10-16/h1-13,20,26H,14H2
InChIKeyXBWSKQWHZXRFLF-UHFFFAOYSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one (CID 20790629) is 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)F)ncc12.
What is the InChIKey of 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is XBWSKQWHZXRFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-20(24)14-29-22-11-18-17(13-25-22)19(28)12-21(26-15-7-3-1-4-8-15)27(18)16-9-5-2-6-10-16/h1-13,20,26H,14H2.
What are the key properties of 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 393.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).