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

C15H11F3N2O — CID 67017331

IUPAC6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one
SMILESO=C1CCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)10-3-1-9(2-4-10)11-5-6-13-12(19-11)7-8-14(21)20-13/h1-6H,7-8H2,(H,20,21)
InChIKeyWGBGLAGTTCDSBT-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.65
Rot. Bonds1

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

6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one (PubChem CID 67017331) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one
PubChem CID67017331
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one
SMILESO=C1CCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2N1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)10-3-1-9(2-4-10)11-5-6-13-12(19-11)7-8-14(21)20-13/h1-6H,7-8H2,(H,20,21)
InChIKeyWGBGLAGTTCDSBT-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one (CID 67017331) is 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one is O=C1CCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2N1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The InChIKey is WGBGLAGTTCDSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)10-3-1-9(2-4-10)11-5-6-13-12(19-11)7-8-14(21)20-13/h1-6H,7-8H2,(H,20,21).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one?
6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 67017331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).