7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one

C11H13IN2O — CID 79295584

IUPAC7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCN1CC(=O)Nc2cc(I)ccc21
InChIInChI=1S/C11H13IN2O/c1-2-5-14-7-11(15)13-9-6-8(12)3-4-10(9)14/h3-4,6H,2,5,7H2,1H3,(H,13,15)
InChIKeyDQCZWDDAXSEXJC-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.46
Rot. Bonds2

About 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one

7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 79295584) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID79295584
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCCN1CC(=O)Nc2cc(I)ccc21
InChIInChI=1S/C11H13IN2O/c1-2-5-14-7-11(15)13-9-6-8(12)3-4-10(9)14/h3-4,6H,2,5,7H2,1H3,(H,13,15)
InChIKeyDQCZWDDAXSEXJC-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one (CID 79295584) is 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one is CCCN1CC(=O)Nc2cc(I)ccc21.
What is the InChIKey of 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is DQCZWDDAXSEXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c1-2-5-14-7-11(15)13-9-6-8(12)3-4-10(9)14/h3-4,6H,2,5,7H2,1H3,(H,13,15).
What are the key properties of 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one?
7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79295584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).