7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid

C22H14F3N3O3 — CID 20791099

IUPAC7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H14F3N3O3/c23-22(24,25)15-11-16(21(30)31)27-20-19(15)17(29)12-18(26-13-7-3-1-4-8-13)28(20)14-9-5-2-6-10-14/h1-12,26H,(H,30,31)
InChIKeySXOIRIYEVGQHGA-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.85
Rot. Bonds4

About 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid

7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid (PubChem CID 20791099) has the molecular formula C22H14F3N3O3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
PubChem CID20791099
Molecular FormulaC22H14F3N3O3
Molecular Weight425.37 g/mol
Exact Mass425.10
IUPAC Name7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H14F3N3O3/c23-22(24,25)15-11-16(21(30)31)27-20-19(15)17(29)12-18(26-13-7-3-1-4-8-13)28(20)14-9-5-2-6-10-14/h1-12,26H,(H,30,31)
InChIKeySXOIRIYEVGQHGA-UHFFFAOYSA-N
XLogP4.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid (CID 20791099) is 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is SXOIRIYEVGQHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O3/c23-22(24,25)15-11-16(21(30)31)27-20-19(15)17(29)12-18(26-13-7-3-1-4-8-13)28(20)14-9-5-2-6-10-14/h1-12,26H,(H,30,31).
What are the key properties of 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 425.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 20791099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).