1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

C17H20N2O2 — CID 57122881

IUPAC1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCOc1cccc2c1C1CC3=NCCCC3C(=O)N1CC2
InChIInChI=1S/C17H20N2O2/c1-21-15-6-2-4-11-7-9-19-14(16(11)15)10-13-12(17(19)20)5-3-8-18-13/h2,4,6,12,14H,3,5,7-10H2,1H3
InChIKeyDTEAOFIVGKGXEP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds1

About 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (PubChem CID 57122881) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
PubChem CID57122881
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCOc1cccc2c1C1CC3=NCCCC3C(=O)N1CC2
InChIInChI=1S/C17H20N2O2/c1-21-15-6-2-4-11-7-9-19-14(16(11)15)10-13-12(17(19)20)5-3-8-18-13/h2,4,6,12,14H,3,5,7-10H2,1H3
InChIKeyDTEAOFIVGKGXEP-UHFFFAOYSA-N
XLogP2.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The IUPAC name of 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (CID 57122881) is 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.
What is the SMILES notation for 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The canonical SMILES for 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is COc1cccc2c1C1CC3=NCCCC3C(=O)N1CC2.
What is the InChIKey of 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The InChIKey is DTEAOFIVGKGXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-15-6-2-4-11-7-9-19-14(16(11)15)10-13-12(17(19)20)5-3-8-18-13/h2,4,6,12,14H,3,5,7-10H2,1H3.
What are the key properties of 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one has a molecular weight of 284.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,6,8a,9,10,11,13,13a-octahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is sourced from PubChem (CID 57122881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).