9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C15H19N3O — CID 58424871

IUPAC9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)Cc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
InChIInChI=1S/C15H19N3O/c1-18(2)9-10-5-6-13-12(8-10)14-11(15(19)17-13)4-3-7-16-14/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyWPLGBVGNCXWPKA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds2

About 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424871) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424871
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)Cc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
InChIInChI=1S/C15H19N3O/c1-18(2)9-10-5-6-13-12(8-10)14-11(15(19)17-13)4-3-7-16-14/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyWPLGBVGNCXWPKA-UHFFFAOYSA-N
XLogP1.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[(dimethylamino)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 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424871) is 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CN(C)Cc1ccc2[nH]c(=O)c3c(c2c1)NCCC3.
What is the InChIKey of 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is WPLGBVGNCXWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)9-10-5-6-13-12(8-10)14-11(15(19)17-13)4-3-7-16-14/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 257.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).