2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one

C15H11ClINO — CID 107606922

IUPAC2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccc(I)cc1Cl
InChIInChI=1S/C15H11ClINO/c16-13-9-11(17)5-6-14(13)18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2
InChIKeyZIVXEEKRAFPAAD-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.15
Rot. Bonds1

About 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one

2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 107606922) has the molecular formula C15H11ClINO and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one
PubChem CID107606922
Molecular FormulaC15H11ClINO
Molecular Weight383.62 g/mol
Exact Mass382.96
IUPAC Name2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1c1ccc(I)cc1Cl
InChIInChI=1S/C15H11ClINO/c16-13-9-11(17)5-6-14(13)18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2
InChIKeyZIVXEEKRAFPAAD-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one (CID 107606922) is 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1c1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is ZIVXEEKRAFPAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINO/c16-13-9-11(17)5-6-14(13)18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2.
What are the key properties of 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one?
2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 383.62 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodophenyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 107606922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).