5-iodo-6-methyl-5H-isoquinolin-1-one

C10H8INO — CID 123370278

IUPAC5-iodo-6-methyl-5H-isoquinolin-1-one
SMILESCC1=CC=C2C(=O)N=CC=C2C1I
InChIInChI=1S/C10H8INO/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,1H3
InChIKeyYBYUJKLPFZKZQC-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.21
Rot. Bonds

About 5-iodo-6-methyl-5H-isoquinolin-1-one

5-iodo-6-methyl-5H-isoquinolin-1-one (PubChem CID 123370278) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 5-iodo-6-methyl-5H-isoquinolin-1-one.

Molecular Properties

Compound Name5-iodo-6-methyl-5H-isoquinolin-1-one
PubChem CID123370278
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name5-iodo-6-methyl-5H-isoquinolin-1-one
SMILESCC1=CC=C2C(=O)N=CC=C2C1I
InChIInChI=1S/C10H8INO/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,1H3
InChIKeyYBYUJKLPFZKZQC-UHFFFAOYSA-N
XLogP2.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-iodo-6-methyl-5H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Dihydroisoquinolinone
CID 141331472
6-methyl-5H-isoquinolin-1-one
CID 91415570
5-methyl-5H-isoquinolin-1-one
CID 91571244
ethane;5-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370277
3-Butylpyrrol-2-one
CID 140993562
Benzo[f]isoquinoline-4,9-dione
CID 177709939
8-iodo-7-methyl-8H-quinazolin-4-one
CID 71304100
10aH-benzo[f]isoquinolin-4-one
CID 71650484
5-(Oxomethylidene)isoquinolin-1-one
CID 74819600
5-Methylideneisoquinolin-1-one
CID 76844803
5-amino-6-methyl-5H-isoquinolin-1-one
CID 123220361
5-Methyliminoisoquinolin-1-one
CID 168006175

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-5H-isoquinolin-1-one?
The IUPAC name of 5-iodo-6-methyl-5H-isoquinolin-1-one (CID 123370278) is 5-iodo-6-methyl-5H-isoquinolin-1-one.
What is the SMILES notation for 5-iodo-6-methyl-5H-isoquinolin-1-one?
The canonical SMILES for 5-iodo-6-methyl-5H-isoquinolin-1-one is CC1=CC=C2C(=O)N=CC=C2C1I.
What is the InChIKey of 5-iodo-6-methyl-5H-isoquinolin-1-one?
The InChIKey is YBYUJKLPFZKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,1H3.
What are the key properties of 5-iodo-6-methyl-5H-isoquinolin-1-one?
5-iodo-6-methyl-5H-isoquinolin-1-one has a molecular weight of 285.08 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-5H-isoquinolin-1-one is sourced from PubChem (CID 123370278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).