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

C16H11ClF3N3O — CID 162518421

IUPAC1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3N3O/c1-21-11-8-14(24)23(12-5-3-2-4-10(12)17)15-9(11)6-7-13(22-15)16(18,19)20/h2-8,21H,1H3
InChIKeyDRAIPVPDKJWYDT-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.10
Rot. Bonds2

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

1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 162518421) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID162518421
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3N3O/c1-21-11-8-14(24)23(12-5-3-2-4-10(12)17)15-9(11)6-7-13(22-15)16(18,19)20/h2-8,21H,1H3
InChIKeyDRAIPVPDKJWYDT-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 162518421) is 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is CNc1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is DRAIPVPDKJWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c1-21-11-8-14(24)23(12-5-3-2-4-10(12)17)15-9(11)6-7-13(22-15)16(18,19)20/h2-8,21H,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 353.73 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162518421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).