8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

C11H7IN2O — CID 68936033

IUPAC8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(I)cc2c2cc[nH]c12
InChIInChI=1S/C11H7IN2O/c12-6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15)
InChIKeyXQBYXOODAOQAFX-UHFFFAOYSA-N
MW310.09 g/mol
LogP2.61
Rot. Bonds

About 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (PubChem CID 68936033) has the molecular formula C11H7IN2O and a molecular weight of 310.09 g/mol. Its IUPAC name is 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
PubChem CID68936033
Molecular FormulaC11H7IN2O
Molecular Weight310.09 g/mol
Exact Mass309.96
IUPAC Name8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(I)cc2c2cc[nH]c12
InChIInChI=1S/C11H7IN2O/c12-6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15)
InChIKeyXQBYXOODAOQAFX-UHFFFAOYSA-N
XLogP2.61
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The IUPAC name of 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (CID 68936033) is 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The canonical SMILES for 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(I)cc2c2cc[nH]c12.
What is the InChIKey of 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The InChIKey is XQBYXOODAOQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2O/c12-6-1-2-9-8(5-6)7-3-4-13-10(7)11(15)14-9/h1-5,13H,(H,14,15).
What are the key properties of 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one has a molecular weight of 310.09 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is sourced from PubChem (CID 68936033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).