8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C15H19N3O2 — CID 58424873

IUPAC8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C15H19N3O2/c1-18(2)8-9-6-11-13(12(19)7-9)14-10(15(20)17-11)4-3-5-16-14/h6-7,16,19H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyDFGSMMFEGSUPDD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.65
Rot. Bonds2

About 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424873) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424873
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C15H19N3O2/c1-18(2)8-9-6-11-13(12(19)7-9)14-10(15(20)17-11)4-3-5-16-14/h6-7,16,19H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyDFGSMMFEGSUPDD-UHFFFAOYSA-N
XLogP1.65
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

Amelparib
CID 58424881
8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424849
8-(hydroxymethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424867
8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424868
cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium
CID 58424891
8-[[2-chloroethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424892
8-(aminomethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424912
8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424913
8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424916
8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424931
10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424938
10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424944

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424873) is 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is DFGSMMFEGSUPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)8-9-6-11-13(12(19)7-9)14-10(15(20)17-11)4-3-5-16-14/h6-7,16,19H,3-5,8H2,1-2H3,(H,17,20).
What are the key properties of 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 273.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-hydroxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).