1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride

C16H13ClN2 — CID 88612037

IUPAC1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
SMILESC1=CCC2=C3C=c4ncccc4=CN3C=CC2=C1.Cl
InChIInChI=1S/C16H12N2.ClH/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18;/h1-5,7-11H,6H2;1H
InChIKeySSTROPATKDLFJQ-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.01
Rot. Bonds

About 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride

1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride (PubChem CID 88612037) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride.

Molecular Properties

Compound Name1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
PubChem CID88612037
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride
SMILESC1=CCC2=C3C=c4ncccc4=CN3C=CC2=C1.Cl
InChIInChI=1S/C16H12N2.ClH/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18;/h1-5,7-11H,6H2;1H
InChIKeySSTROPATKDLFJQ-UHFFFAOYSA-N
XLogP2.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride?
The IUPAC name of 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride (CID 88612037) is 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride.
What is the SMILES notation for 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride?
The canonical SMILES for 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride is C1=CCC2=C3C=c4ncccc4=CN3C=CC2=C1.Cl.
What is the InChIKey of 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride?
The InChIKey is SSTROPATKDLFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.ClH/c1-2-6-14-12(4-1)7-9-18-11-13-5-3-8-17-15(13)10-16(14)18;/h1-5,7-11H,6H2;1H.
What are the key properties of 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride?
1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride has a molecular weight of 268.75 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoquinolino[2,1-g][1,6]naphthyridine;hydrochloride is sourced from PubChem (CID 88612037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).