4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C15H9ClF3N3O — CID 162518366

IUPAC4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF3N3O/c16-9-3-1-2-4-11(9)22-13(23)7-10(20)8-5-6-12(15(17,18)19)21-14(8)22/h1-7H,20H2
InChIKeyGDXOIRYIHTZHLJ-UHFFFAOYSA-N
MW339.70 g/mol
LogP3.64
Rot. Bonds1

About 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 162518366) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID162518366
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF3N3O/c16-9-3-1-2-4-11(9)22-13(23)7-10(20)8-5-6-12(15(17,18)19)21-14(8)22/h1-7H,20H2
InChIKeyGDXOIRYIHTZHLJ-UHFFFAOYSA-N
XLogP3.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 162518366) is 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is Nc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is GDXOIRYIHTZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-9-3-1-2-4-11(9)22-13(23)7-10(20)8-5-6-12(15(17,18)19)21-14(8)22/h1-7H,20H2.
What are the key properties of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 339.70 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162518366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).