1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone

C18H20N2O3 — CID 91917846

IUPAC1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)COc1ccccc1)C2
InChIInChI=1S/C18H20N2O3/c1-2-22-17-9-8-14-12-20(11-10-16(14)19-17)18(21)13-23-15-6-4-3-5-7-15/h3-9H,2,10-13H2,1H3
InChIKeyAKFBZHGAQLLSDG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone

1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone (PubChem CID 91917846) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone
PubChem CID91917846
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)COc1ccccc1)C2
InChIInChI=1S/C18H20N2O3/c1-2-22-17-9-8-14-12-20(11-10-16(14)19-17)18(21)13-23-15-6-4-3-5-7-15/h3-9H,2,10-13H2,1H3
InChIKeyAKFBZHGAQLLSDG-UHFFFAOYSA-N
XLogP2.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone (CID 91917846) is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone is CCOc1ccc2c(n1)CCN(C(=O)COc1ccccc1)C2.
What is the InChIKey of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone?
The InChIKey is AKFBZHGAQLLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-22-17-9-8-14-12-20(11-10-16(14)19-17)18(21)13-23-15-6-4-3-5-7-15/h3-9H,2,10-13H2,1H3.
What are the key properties of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone?
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone has a molecular weight of 312.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-phenoxyethanone is sourced from PubChem (CID 91917846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).