2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C19H21FN2O4 — CID 91917891

IUPAC2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C19H21FN2O4/c1-24-10-11-25-18-7-2-14-12-22(9-8-17(14)21-18)19(23)13-26-16-5-3-15(20)4-6-16/h2-7H,8-13H2,1H3
InChIKeySDLHCPDWRWRYOR-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 91917891) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID91917891
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C19H21FN2O4/c1-24-10-11-25-18-7-2-14-12-22(9-8-17(14)21-18)19(23)13-26-16-5-3-15(20)4-6-16/h2-7H,8-13H2,1H3
InChIKeySDLHCPDWRWRYOR-UHFFFAOYSA-N
XLogP2.21
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 91917891) is 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is COCCOc1ccc2c(n1)CCN(C(=O)COc1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is SDLHCPDWRWRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-24-10-11-25-18-7-2-14-12-22(9-8-17(14)21-18)19(23)13-26-16-5-3-15(20)4-6-16/h2-7H,8-13H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 360.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 91917891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).