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

C20H24N2O4 — CID 91907661

IUPAC1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)Cc1ccc(OC)cc1)C2
InChIInChI=1S/C20H24N2O4/c1-24-11-12-26-19-8-5-16-14-22(10-9-18(16)21-19)20(23)13-15-3-6-17(25-2)7-4-15/h3-8H,9-14H2,1-2H3
InChIKeyBQPUOKGRCHXGEP-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.24
Rot. Bonds7

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

1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 91907661) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID91907661
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)Cc1ccc(OC)cc1)C2
InChIInChI=1S/C20H24N2O4/c1-24-11-12-26-19-8-5-16-14-22(10-9-18(16)21-19)20(23)13-15-3-6-17(25-2)7-4-15/h3-8H,9-14H2,1-2H3
InChIKeyBQPUOKGRCHXGEP-UHFFFAOYSA-N
XLogP2.24
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone (CID 91907661) is 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone is COCCOc1ccc2c(n1)CCN(C(=O)Cc1ccc(OC)cc1)C2.
What is the InChIKey of 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is BQPUOKGRCHXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-11-12-26-19-8-5-16-14-22(10-9-18(16)21-19)20(23)13-15-3-6-17(25-2)7-4-15/h3-8H,9-14H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone?
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 356.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 91907661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).