3-iodo-1-methylquinolin-2-one

C10H8INO — CID 15733001

IUPAC3-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(I)cc2ccccc21
InChIInChI=1S/C10H8INO/c1-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-6H,1H3
InChIKeyCRCKGRNETYMWJQ-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.14
Rot. Bonds

About 3-iodo-1-methylquinolin-2-one

3-iodo-1-methylquinolin-2-one (PubChem CID 15733001) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 3-iodo-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-iodo-1-methylquinolin-2-one
PubChem CID15733001
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name3-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(I)cc2ccccc21
InChIInChI=1S/C10H8INO/c1-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-6H,1H3
InChIKeyCRCKGRNETYMWJQ-UHFFFAOYSA-N
XLogP2.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methylquinolin-2-one?
The IUPAC name of 3-iodo-1-methylquinolin-2-one (CID 15733001) is 3-iodo-1-methylquinolin-2-one.
What is the SMILES notation for 3-iodo-1-methylquinolin-2-one?
The canonical SMILES for 3-iodo-1-methylquinolin-2-one is Cn1c(=O)c(I)cc2ccccc21.
What is the InChIKey of 3-iodo-1-methylquinolin-2-one?
The InChIKey is CRCKGRNETYMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-6H,1H3.
What are the key properties of 3-iodo-1-methylquinolin-2-one?
3-iodo-1-methylquinolin-2-one has a molecular weight of 285.08 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylquinolin-2-one is sourced from PubChem (CID 15733001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).