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

C15H19N3O2 — CID 58425001

IUPAC8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C15H19N3O2/c1-2-20-12-7-9(8-16)6-11-13(12)14-10(15(19)18-11)4-3-5-17-14/h6-7,17H,2-5,8,16H2,1H3,(H,18,19)
InChIKeyUAEDODMLGIUTOT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds3

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

8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58425001) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58425001
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C15H19N3O2/c1-2-20-12-7-9(8-16)6-11-13(12)14-10(15(19)18-11)4-3-5-17-14/h6-7,17H,2-5,8,16H2,1H3,(H,18,19)
InChIKeyUAEDODMLGIUTOT-UHFFFAOYSA-N
XLogP1.74
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

Amelparib
CID 58424881
Amelparib dihydrochloride dihydrate
CID 71661804
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
8-[(Dimethylamino)methyl]-10-hydroxy-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine-5-(6H)-one
CID 58424873
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
10-(2-methoxyethoxy)-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424904
10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424905
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

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58425001) is 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is UAEDODMLGIUTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-12-7-9(8-16)6-11-13(12)14-10(15(19)18-11)4-3-5-17-14/h6-7,17H,2-5,8,16H2,1H3,(H,18,19).
What are the key properties of 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 273.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-10-ethoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58425001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).