3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine

C20H21F4N3O2 — CID 178059829

IUPAC3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)cc(C(F)(F)F)c1.O=C1NCCc2cnccc21
InChIInChI=1S/C12H13F4NO.C8H8N2O/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17;11-8-7-2-3-9-5-6(7)1-4-10-8/h5-7H,1-4,8H2;2-3,5H,1,4H2,(H,10,11)
InChIKeyORQQKDOYTULFTN-UHFFFAOYSA-N
MW411.40 g/mol
LogP3.04
Rot. Bonds2

About 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine

3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 178059829) has the molecular formula C20H21F4N3O2 and a molecular weight of 411.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID178059829
Molecular FormulaC20H21F4N3O2
Molecular Weight411.40 g/mol
Exact Mass411.16
IUPAC Name3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)cc(C(F)(F)F)c1.O=C1NCCc2cnccc21
InChIInChI=1S/C12H13F4NO.C8H8N2O/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17;11-8-7-2-3-9-5-6(7)1-4-10-8/h5-7H,1-4,8H2;2-3,5H,1,4H2,(H,10,11)
InChIKeyORQQKDOYTULFTN-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine (CID 178059829) is 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine is Fc1cc(CN2CCOCC2)cc(C(F)(F)F)c1.O=C1NCCc2cnccc21.
What is the InChIKey of 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is ORQQKDOYTULFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO.C8H8N2O/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17;11-8-7-2-3-9-5-6(7)1-4-10-8/h5-7H,1-4,8H2;2-3,5H,1,4H2,(H,10,11).
What are the key properties of 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 411.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 178059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).