6-(123I)iodo-3-isoindol-2-ylisoquinoline

C17H11IN2 — CID 172814581

IUPAC6-(123I)iodo-3-isoindol-2-ylisoquinoline
SMILES[123I]c1ccc2cnc(-n3cc4ccccc4c3)cc2c1
InChIInChI=1S/C17H11IN2/c18-16-6-5-12-9-19-17(8-15(12)7-16)20-10-13-3-1-2-4-14(13)11-20/h1-11H/i18-4
InChIKeySQIZJGSWRUGKIG-GSLGWBAQSA-N
MW366.19 g/mol
LogP4.78
Rot. Bonds1

About 6-(123I)iodo-3-isoindol-2-ylisoquinoline

6-(123I)iodo-3-isoindol-2-ylisoquinoline (PubChem CID 172814581) has the molecular formula C17H11IN2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 6-(123I)iodo-3-isoindol-2-ylisoquinoline.

Molecular Properties

Compound Name6-(123I)iodo-3-isoindol-2-ylisoquinoline
PubChem CID172814581
Molecular FormulaC17H11IN2
Molecular Weight366.19 g/mol
Exact Mass366.00
IUPAC Name6-(123I)iodo-3-isoindol-2-ylisoquinoline
SMILES[123I]c1ccc2cnc(-n3cc4ccccc4c3)cc2c1
InChIInChI=1S/C17H11IN2/c18-16-6-5-12-9-19-17(8-15(12)7-16)20-10-13-3-1-2-4-14(13)11-20/h1-11H/i18-4
InChIKeySQIZJGSWRUGKIG-GSLGWBAQSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-indol-1-ylisoquinolin-6-amine
CID 164820532
3-(1,5-dihydropyrazol-2-yl)isoquinoline
CID 89155671
3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
CID 70138752
(2-isoquinolin-3-yl-1,2,4-triazol-3-yl)methylazanium chloride
CID 169041911
3-[3-[3-(3-isoquinolin-3-yl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-id-1-yl]isoquinoline;nickel(2+)
CID 170687333
3-(2,4,5-trimethylbenzimidazol-1-yl)isoquinoline
CID 178046365
1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
ethane;isoquinolin-3-ylphosphane
CID 167500281
3-naphthalen-2-ylsulfanylisoquinoline
CID 132603220
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
N-isoquinolin-3-ylhydroxylamine
CID 119089500
N-methylisoquinolin-3-amine
CID 24976745

Frequently Asked Questions

What is the IUPAC name of 6-(123I)iodo-3-isoindol-2-ylisoquinoline?
The IUPAC name of 6-(123I)iodo-3-isoindol-2-ylisoquinoline (CID 172814581) is 6-(123I)iodo-3-isoindol-2-ylisoquinoline.
What is the SMILES notation for 6-(123I)iodo-3-isoindol-2-ylisoquinoline?
The canonical SMILES for 6-(123I)iodo-3-isoindol-2-ylisoquinoline is [123I]c1ccc2cnc(-n3cc4ccccc4c3)cc2c1.
What is the InChIKey of 6-(123I)iodo-3-isoindol-2-ylisoquinoline?
The InChIKey is SQIZJGSWRUGKIG-GSLGWBAQSA-N. The full InChI is InChI=1S/C17H11IN2/c18-16-6-5-12-9-19-17(8-15(12)7-16)20-10-13-3-1-2-4-14(13)11-20/h1-11H/i18-4.
What are the key properties of 6-(123I)iodo-3-isoindol-2-ylisoquinoline?
6-(123I)iodo-3-isoindol-2-ylisoquinoline has a molecular weight of 366.19 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(123I)iodo-3-isoindol-2-ylisoquinoline is sourced from PubChem (CID 172814581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).