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

C15H19N3O — CID 58424874

IUPAC8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCNC(C)c1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C15H19N3O/c1-9(16-2)10-5-6-11-13(8-10)18-15(19)12-4-3-7-17-14(11)12/h5-6,8-9,16-17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyZYMRGZONHFIBCS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds2

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

8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424874) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424874
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCNC(C)c1ccc2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C15H19N3O/c1-9(16-2)10-5-6-11-13(8-10)18-15(19)12-4-3-7-17-14(11)12/h5-6,8-9,16-17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyZYMRGZONHFIBCS-UHFFFAOYSA-N
XLogP2.17
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424874) is 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CNC(C)c1ccc2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is ZYMRGZONHFIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(16-2)10-5-6-11-13(8-10)18-15(19)12-4-3-7-17-14(11)12/h5-6,8-9,16-17H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 257.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).