5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one

C21H19F4N3O2 — CID 168887588

IUPAC5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C
InChIInChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLFBDEZCSVODMES-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.90
Rot. Bonds2

About 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one

5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one (PubChem CID 168887588) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
PubChem CID168887588
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C
InChIInChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLFBDEZCSVODMES-UHFFFAOYSA-N
XLogP3.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one (CID 168887588) is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one is Cc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The InChIKey is LFBDEZCSVODMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one has a molecular weight of 421.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one is sourced from PubChem (CID 168887588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).