7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C29H20F3N3O2 — CID 10300555

IUPAC7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1
InChIInChI=1S/C29H20F3N3O2/c1-18(36)19-9-8-10-20(15-19)24-16-23(29(30,31)32)27-25(37)17-26(33-21-11-4-2-5-12-21)35(28(27)34-24)22-13-6-3-7-14-22/h2-17,33H,1H3
InChIKeyZOSSTOQZXQHOKV-UHFFFAOYSA-N
MW499.49 g/mol
LogP7.02
Rot. Bonds5

About 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10300555) has the molecular formula C29H20F3N3O2 and a molecular weight of 499.49 g/mol. Its IUPAC name is 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10300555
Molecular FormulaC29H20F3N3O2
Molecular Weight499.49 g/mol
Exact Mass499.15
IUPAC Name7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1
InChIInChI=1S/C29H20F3N3O2/c1-18(36)19-9-8-10-20(15-19)24-16-23(29(30,31)32)27-25(37)17-26(33-21-11-4-2-5-12-21)35(28(27)34-24)22-13-6-3-7-14-22/h2-17,33H,1H3
InChIKeyZOSSTOQZXQHOKV-UHFFFAOYSA-N
XLogP7.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.49
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10300555) is 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(=O)c1cccc(-c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.
What is the InChIKey of 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is ZOSSTOQZXQHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N3O2/c1-18(36)19-9-8-10-20(15-19)24-16-23(29(30,31)32)27-25(37)17-26(33-21-11-4-2-5-12-21)35(28(27)34-24)22-13-6-3-7-14-22/h2-17,33H,1H3.
What are the key properties of 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 499.49 g/mol, XLogP of 7.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylphenyl)-2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10300555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).