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

C19H22N2O2 — CID 91917872

IUPAC1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2
InChIInChI=1S/C19H22N2O2/c1-3-23-18-8-7-16-13-21(10-9-17(16)20-18)19(22)12-15-6-4-5-14(2)11-15/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeySAHXYZNMTORYBO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.92
Rot. Bonds4

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

1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone (PubChem CID 91917872) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone
PubChem CID91917872
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2
InChIInChI=1S/C19H22N2O2/c1-3-23-18-8-7-16-13-21(10-9-17(16)20-18)19(22)12-15-6-4-5-14(2)11-15/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeySAHXYZNMTORYBO-UHFFFAOYSA-N
XLogP2.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-methylphenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone (CID 91917872) is 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone is CCOc1ccc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2.
What is the InChIKey of 1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is SAHXYZNMTORYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-18-8-7-16-13-21(10-9-17(16)20-18)19(22)12-15-6-4-5-14(2)11-15/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-methylphenyl)ethanone?
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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-methylphenyl)ethanone is sourced from PubChem (CID 91917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).