2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine

C16H22N2 — CID 67870325

IUPAC2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine
SMILESC1=NC2=CC3=C4CCCCC4CCN3CC2CC1
InChIInChI=1S/C16H22N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h8,10,12-13H,1-7,9,11H2
InChIKeyJGLJMELUKKELMV-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.51
Rot. Bonds

About 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine

2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine (PubChem CID 67870325) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine
PubChem CID67870325
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine
SMILESC1=NC2=CC3=C4CCCCC4CCN3CC2CC1
InChIInChI=1S/C16H22N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h8,10,12-13H,1-7,9,11H2
InChIKeyJGLJMELUKKELMV-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine?
The IUPAC name of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine (CID 67870325) is 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine.
What is the SMILES notation for 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine?
The canonical SMILES for 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine is C1=NC2=CC3=C4CCCCC4CCN3CC2CC1.
What is the InChIKey of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine?
The InChIKey is JGLJMELUKKELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18/h8,10,12-13H,1-7,9,11H2.
What are the key properties of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine?
2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine has a molecular weight of 242.37 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine is sourced from PubChem (CID 67870325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).