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

C17H13ClF3N3O — CID 162518383

IUPAC1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCN(C)c1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C17H13ClF3N3O/c1-23(2)13-9-15(25)24(12-6-4-3-5-11(12)18)16-10(13)7-8-14(22-16)17(19,20)21/h3-9H,1-2H3
InChIKeyZROYCNUVDQKRHB-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.12
Rot. Bonds2

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

1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 162518383) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID162518383
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCN(C)c1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C17H13ClF3N3O/c1-23(2)13-9-15(25)24(12-6-4-3-5-11(12)18)16-10(13)7-8-14(22-16)17(19,20)21/h3-9H,1-2H3
InChIKeyZROYCNUVDQKRHB-UHFFFAOYSA-N
XLogP4.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 162518383) is 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is CN(C)c1cc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is ZROYCNUVDQKRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-23(2)13-9-15(25)24(12-6-4-3-5-11(12)18)16-10(13)7-8-14(22-16)17(19,20)21/h3-9H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 367.76 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(dimethylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162518383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).