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

C17H19FN2O2 — CID 59368695

IUPAC7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H19FN2O2/c1-21-17(22-2)15-10-5-12-4-3-11-20(16(12)19-15)14-8-6-13(18)7-9-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyIYNGGYWKUIUJHH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.60
Rot. Bonds4

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

7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 59368695) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID59368695
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H19FN2O2/c1-21-17(22-2)15-10-5-12-4-3-11-20(16(12)19-15)14-8-6-13(18)7-9-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyIYNGGYWKUIUJHH-UHFFFAOYSA-N
XLogP3.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine (CID 59368695) is 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine is COC(OC)c1ccc2c(n1)N(c1ccc(F)cc1)CCC2.
What is the InChIKey of 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is IYNGGYWKUIUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-21-17(22-2)15-10-5-12-4-3-11-20(16(12)19-15)14-8-6-13(18)7-9-14/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine?
7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 302.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 59368695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).