1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone

C19H22N2O3 — CID 91917852

IUPAC1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)COc1cccc(C)c1)C2
InChIInChI=1S/C19H22N2O3/c1-3-23-18-8-7-15-12-21(10-9-17(15)20-18)19(22)13-24-16-6-4-5-14(2)11-16/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyKIPPXZWFPNAZQO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone

1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone (PubChem CID 91917852) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone
PubChem CID91917852
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)COc1cccc(C)c1)C2
InChIInChI=1S/C19H22N2O3/c1-3-23-18-8-7-15-12-21(10-9-17(15)20-18)19(22)13-24-16-6-4-5-14(2)11-16/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyKIPPXZWFPNAZQO-UHFFFAOYSA-N
XLogP2.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
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-(3-methylphenoxy)ethanone?
The IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone (CID 91917852) is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone is CCOc1ccc2c(n1)CCN(C(=O)COc1cccc(C)c1)C2.
What is the InChIKey of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone?
The InChIKey is KIPPXZWFPNAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-23-18-8-7-15-12-21(10-9-17(15)20-18)19(22)13-24-16-6-4-5-14(2)11-16/h4-8,11H,3,9-10,12-13H2,1-2H3.
What are the key properties of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone?
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenoxy)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.75, 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-(3-methylphenoxy)ethanone is sourced from PubChem (CID 91917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).