1,4-dihydroisoquinoline;dihydrochloride

C9H11Cl2N — CID 143310535

IUPAC1,4-dihydroisoquinoline;dihydrochloride
SMILESC1=NCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C9H9N.2ClH/c1-2-4-9-7-10-6-5-8(9)3-1;;/h1-4,6H,5,7H2;2*1H
InChIKeyDJQNHPRYLAUDJG-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.66
Rot. Bonds

About 1,4-dihydroisoquinoline;dihydrochloride

1,4-dihydroisoquinoline;dihydrochloride (PubChem CID 143310535) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1,4-dihydroisoquinoline;dihydrochloride.

Molecular Properties

Compound Name1,4-dihydroisoquinoline;dihydrochloride
PubChem CID143310535
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1,4-dihydroisoquinoline;dihydrochloride
SMILESC1=NCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C9H9N.2ClH/c1-2-4-9-7-10-6-5-8(9)3-1;;/h1-4,6H,5,7H2;2*1H
InChIKeyDJQNHPRYLAUDJG-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1,4-dihydroisoquinoline
CID 91099203
1H-isoindole;molecular hydrogen
CID 178015184
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
1H-indene;1H-isoindole
CID 159523195
3H-indol-7-amine
CID 147992878
1H-isoquinolin-4-one
CID 19881266
1H-2-benzazepine
CID 21330658
2-methylsulfanyl-1,5-dihydro-2,4-benzodiazepine;hydroiodide
CID 19820492
2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine
CID 90144630
4H-cinnolin-1-ium 1-oxide
CID 19700683
benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
CID 160566551
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroisoquinoline;dihydrochloride?
The IUPAC name of 1,4-dihydroisoquinoline;dihydrochloride (CID 143310535) is 1,4-dihydroisoquinoline;dihydrochloride.
What is the SMILES notation for 1,4-dihydroisoquinoline;dihydrochloride?
The canonical SMILES for 1,4-dihydroisoquinoline;dihydrochloride is C1=NCc2ccccc2C1.Cl.Cl.
What is the InChIKey of 1,4-dihydroisoquinoline;dihydrochloride?
The InChIKey is DJQNHPRYLAUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.2ClH/c1-2-4-9-7-10-6-5-8(9)3-1;;/h1-4,6H,5,7H2;2*1H.
What are the key properties of 1,4-dihydroisoquinoline;dihydrochloride?
1,4-dihydroisoquinoline;dihydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroisoquinoline;dihydrochloride is sourced from PubChem (CID 143310535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).