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

C16H23ClN2 — CID 67870324

IUPAC2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
SMILESC1=NC2=CC3=C4CCCCC4CCN3CC2CC1.Cl
InChIInChI=1S/C16H22N2.ClH/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;1H
InChIKeyWKPUPHJAMWJQKO-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.94
Rot. Bonds

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

2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride (PubChem CID 67870324) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 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;hydrochloride.

Molecular Properties

Compound Name2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
PubChem CID67870324
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
SMILESC1=NC2=CC3=C4CCCCC4CCN3CC2CC1.Cl
InChIInChI=1S/C16H22N2.ClH/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;1H
InChIKeyWKPUPHJAMWJQKO-UHFFFAOYSA-N
XLogP3.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.94
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;hydrochloride?
The IUPAC name of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride (CID 67870324) is 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride is C1=NC2=CC3=C4CCCCC4CCN3CC2CC1.Cl.
What is the InChIKey of 2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride?
The InChIKey is WKPUPHJAMWJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.ClH/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;1H.
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;hydrochloride?
2,3,4,4a,5,6,8,8a,9,10-decahydro-1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 3.94, 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;hydrochloride is sourced from PubChem (CID 67870324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).