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

C26H25F3N4O — CID 20790740

IUPAC2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCN(CC)Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H25F3N4O/c1-3-32(4-2)17-19-15-21(26(27,28)29)24-22(34)16-23(30-18-11-7-5-8-12-18)33(25(24)31-19)20-13-9-6-10-14-20/h5-16,30H,3-4,17H2,1-2H3
InChIKeyKDQNAELFSPQGOM-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.99
Rot. Bonds7

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

2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790740) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790740
Molecular FormulaC26H25F3N4O
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCN(CC)Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H25F3N4O/c1-3-32(4-2)17-19-15-21(26(27,28)29)24-22(34)16-23(30-18-11-7-5-8-12-18)33(25(24)31-19)20-13-9-6-10-14-20/h5-16,30H,3-4,17H2,1-2H3
InChIKeyKDQNAELFSPQGOM-UHFFFAOYSA-N
XLogP5.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790740) is 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCN(CC)Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is KDQNAELFSPQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-3-32(4-2)17-19-15-21(26(27,28)29)24-22(34)16-23(30-18-11-7-5-8-12-18)33(25(24)31-19)20-13-9-6-10-14-20/h5-16,30H,3-4,17H2,1-2H3.
What are the key properties of 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 466.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(diethylaminomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).