7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine

C17H17F3N2O2 — CID 59368970

IUPAC7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1cc(F)c(F)c(F)c1)CCC2
InChIInChI=1S/C17H17F3N2O2/c1-23-17(24-2)14-6-5-10-4-3-7-22(16(10)21-14)11-8-12(18)15(20)13(19)9-11/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyVSPLMOSXOFWEJZ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.87
Rot. Bonds4

About 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine

7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 59368970) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID59368970
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1cc(F)c(F)c(F)c1)CCC2
InChIInChI=1S/C17H17F3N2O2/c1-23-17(24-2)14-6-5-10-4-3-7-22(16(10)21-14)11-8-12(18)15(20)13(19)9-11/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyVSPLMOSXOFWEJZ-UHFFFAOYSA-N
XLogP3.87
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine (CID 59368970) is 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine is COC(OC)c1ccc2c(n1)N(c1cc(F)c(F)c(F)c1)CCC2.
What is the InChIKey of 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is VSPLMOSXOFWEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-23-17(24-2)14-6-5-10-4-3-7-22(16(10)21-14)11-8-12(18)15(20)13(19)9-11/h5-6,8-9,17H,3-4,7H2,1-2H3.
What are the key properties of 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 338.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 59368970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).