2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

C14H15N3O2 — CID 58912958

IUPAC2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESNCC(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C14H15N3O2/c15-7-13(18)17-6-5-12-11(8-17)9-3-1-2-4-10(9)14(19)16-12/h1-4H,5-8,15H2,(H,16,19)
InChIKeyABIRHFJJJJZQJN-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.37
Rot. Bonds1

About 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (PubChem CID 58912958) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
PubChem CID58912958
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESNCC(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C14H15N3O2/c15-7-13(18)17-6-5-12-11(8-17)9-3-1-2-4-10(9)14(19)16-12/h1-4H,5-8,15H2,(H,16,19)
InChIKeyABIRHFJJJJZQJN-UHFFFAOYSA-N
XLogP0.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The IUPAC name of 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (CID 58912958) is 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.
What is the SMILES notation for 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The canonical SMILES for 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is NCC(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1.
What is the InChIKey of 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The InChIKey is ABIRHFJJJJZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-7-13(18)17-6-5-12-11(8-17)9-3-1-2-4-10(9)14(19)16-12/h1-4H,5-8,15H2,(H,16,19).
What are the key properties of 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one has a molecular weight of 257.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoacetyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is sourced from PubChem (CID 58912958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).