8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C17H23N3O2 — CID 58424898

IUPAC8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H23N3O2/c1-20(8-9-22-2)11-12-5-6-13-15(10-12)19-17(21)14-4-3-7-18-16(13)14/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyCUGDLTVQEUFUKC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.96
Rot. Bonds5

About 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424898) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424898
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H23N3O2/c1-20(8-9-22-2)11-12-5-6-13-15(10-12)19-17(21)14-4-3-7-18-16(13)14/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyCUGDLTVQEUFUKC-UHFFFAOYSA-N
XLogP1.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one 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 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424898) is 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is CUGDLTVQEUFUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(8-9-22-2)11-12-5-6-13-15(10-12)19-17(21)14-4-3-7-18-16(13)14/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 301.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).