trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C23H18F3N3O3 — CID 118393182

IUPACtrifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESO=C(Nc1cc2c(nc1-c1ccccc1)CCN(C(=O)OC(F)(F)F)C2)c1ccccc1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)32-22(31)29-12-11-18-17(14-29)13-19(20(27-18)15-7-3-1-4-8-15)28-21(30)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,28,30)
InChIKeyZOXZTIWHERJYMA-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.02
Rot. Bonds3

About trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 118393182) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID118393182
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Nametrifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESO=C(Nc1cc2c(nc1-c1ccccc1)CCN(C(=O)OC(F)(F)F)C2)c1ccccc1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)32-22(31)29-12-11-18-17(14-29)13-19(20(27-18)15-7-3-1-4-8-15)28-21(30)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,28,30)
InChIKeyZOXZTIWHERJYMA-UHFFFAOYSA-N
XLogP5.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 118393182) is trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is O=C(Nc1cc2c(nc1-c1ccccc1)CCN(C(=O)OC(F)(F)F)C2)c1ccccc1.
What is the InChIKey of trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is ZOXZTIWHERJYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-23(25,26)32-22(31)29-12-11-18-17(14-29)13-19(20(27-18)15-7-3-1-4-8-15)28-21(30)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,28,30).
What are the key properties of trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 441.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-benzamido-2-phenyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 118393182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).