2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C27H19F3N4O2 — CID 20790475

IUPAC2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H19F3N4O2/c28-27(29,30)21-15-24(36-17-19-11-7-8-14-31-19)33-26-25(21)22(35)16-23(32-18-9-3-1-4-10-18)34(26)20-12-5-2-6-13-20/h1-16,32H,17H2
InChIKeyVCYQSZGHXWDWRQ-UHFFFAOYSA-N
MW488.47 g/mol
LogP6.12
Rot. Bonds6

About 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790475) has the molecular formula C27H19F3N4O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790475
Molecular FormulaC27H19F3N4O2
Molecular Weight488.47 g/mol
Exact Mass488.15
IUPAC Name2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H19F3N4O2/c28-27(29,30)21-15-24(36-17-19-11-7-8-14-31-19)33-26-25(21)22(35)16-23(32-18-9-3-1-4-10-18)34(26)20-12-5-2-6-13-20/h1-16,32H,17H2
InChIKeyVCYQSZGHXWDWRQ-UHFFFAOYSA-N
XLogP6.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790475) is 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCc3ccccn3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is VCYQSZGHXWDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O2/c28-27(29,30)21-15-24(36-17-19-11-7-8-14-31-19)33-26-25(21)22(35)16-23(32-18-9-3-1-4-10-18)34(26)20-12-5-2-6-13-20/h1-16,32H,17H2.
What are the key properties of 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 488.47 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).