7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one

C11H13IN2O2 — CID 79291758

IUPAC7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOCCC1Nc2ccc(I)cc2NC1=O
InChIInChI=1S/C11H13IN2O2/c1-16-5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyMPQSNAHCTSKTHD-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.06
Rot. Bonds3

About 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one

7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79291758) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79291758
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOCCC1Nc2ccc(I)cc2NC1=O
InChIInChI=1S/C11H13IN2O2/c1-16-5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyMPQSNAHCTSKTHD-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290350
methyl 3-[(2S)-6-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoate
CID 155021360
7-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79291523
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 79290992
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290407
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-methoxyethyl)acetamide
CID 2972695
methyl (2S)-2-benzyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 102354495
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 79291758) is 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one is COCCC1Nc2ccc(I)cc2NC1=O.
What is the InChIKey of 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is MPQSNAHCTSKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c1-16-5-4-9-11(15)14-10-6-7(12)2-3-8(10)13-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 332.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-(2-methoxyethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79291758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).