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

C18H26N4O — CID 58424862

IUPAC8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C18H26N4O/c1-21(2)9-10-22(3)12-13-6-7-14-16(11-13)20-18(23)15-5-4-8-19-17(14)15/h6-7,11,19H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyVSGKNTSTRZTFNN-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.88
Rot. Bonds5

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

8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424862) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424862
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C18H26N4O/c1-21(2)9-10-22(3)12-13-6-7-14-16(11-13)20-18(23)15-5-4-8-19-17(14)15/h6-7,11,19H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyVSGKNTSTRZTFNN-UHFFFAOYSA-N
XLogP1.88
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424862) is 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CN(C)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is VSGKNTSTRZTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(2)9-10-22(3)12-13-6-7-14-16(11-13)20-18(23)15-5-4-8-19-17(14)15/h6-7,11,19H,4-5,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 314.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).