1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one

C14H9F3N2O2 — CID 5304944

IUPAC1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESO=c1ccn(Cc2ccco2)c2ccnc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-12-10(3-5-18-13)19(6-4-11(12)20)8-9-2-1-7-21-9/h1-7H,8H2
InChIKeyWAGZOLOFZSUJES-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.06
Rot. Bonds2

About 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one

1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one (PubChem CID 5304944) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one
PubChem CID5304944
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESO=c1ccn(Cc2ccco2)c2ccnc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-12-10(3-5-18-13)19(6-4-11(12)20)8-9-2-1-7-21-9/h1-7H,8H2
InChIKeyWAGZOLOFZSUJES-UHFFFAOYSA-N
XLogP3.06
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one (CID 5304944) is 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one is O=c1ccn(Cc2ccco2)c2ccnc(C(F)(F)F)c12.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The InChIKey is WAGZOLOFZSUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)13-12-10(3-5-18-13)19(6-4-11(12)20)8-9-2-1-7-21-9/h1-7H,8H2.
What are the key properties of 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one has a molecular weight of 294.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 5304944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).