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

C17H18F2N2O2 — CID 59369324

IUPAC1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C17H18F2N2O2/c1-22-17(23-2)15-8-5-11-4-3-9-21(16(11)20-15)12-6-7-13(18)14(19)10-12/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyDJIKYAJDNANZKP-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.74
Rot. Bonds4

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

1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 59369324) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID59369324
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOC(OC)c1ccc2c(n1)N(c1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C17H18F2N2O2/c1-22-17(23-2)15-8-5-11-4-3-9-21(16(11)20-15)12-6-7-13(18)14(19)10-12/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyDJIKYAJDNANZKP-UHFFFAOYSA-N
XLogP3.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.74
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 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine (CID 59369324) is 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine is COC(OC)c1ccc2c(n1)N(c1ccc(F)c(F)c1)CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is DJIKYAJDNANZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-22-17(23-2)15-8-5-11-4-3-9-21(16(11)20-15)12-6-7-13(18)14(19)10-12/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine?
1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 320.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 59369324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).