4-amino-6-iodocinnoline-3-carboxamide

C9H7IN4O — CID 71061186

IUPAC4-amino-6-iodocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccc(I)cc2c1N
InChIInChI=1S/C9H7IN4O/c10-4-1-2-6-5(3-4)7(11)8(9(12)15)14-13-6/h1-3H,(H2,11,13)(H2,12,15)
InChIKeyQSVSXUCZJOFOIE-UHFFFAOYSA-N
MW314.09 g/mol
LogP0.92
Rot. Bonds1

About 4-amino-6-iodocinnoline-3-carboxamide

4-amino-6-iodocinnoline-3-carboxamide (PubChem CID 71061186) has the molecular formula C9H7IN4O and a molecular weight of 314.09 g/mol. Its IUPAC name is 4-amino-6-iodocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-iodocinnoline-3-carboxamide
PubChem CID71061186
Molecular FormulaC9H7IN4O
Molecular Weight314.09 g/mol
Exact Mass313.97
IUPAC Name4-amino-6-iodocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccc(I)cc2c1N
InChIInChI=1S/C9H7IN4O/c10-4-1-2-6-5(3-4)7(11)8(9(12)15)14-13-6/h1-3H,(H2,11,13)(H2,12,15)
InChIKeyQSVSXUCZJOFOIE-UHFFFAOYSA-N
XLogP0.92
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-iodocinnoline-3-carboxamide?
The IUPAC name of 4-amino-6-iodocinnoline-3-carboxamide (CID 71061186) is 4-amino-6-iodocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-6-iodocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-6-iodocinnoline-3-carboxamide is NC(=O)c1nnc2ccc(I)cc2c1N.
What is the InChIKey of 4-amino-6-iodocinnoline-3-carboxamide?
The InChIKey is QSVSXUCZJOFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4O/c10-4-1-2-6-5(3-4)7(11)8(9(12)15)14-13-6/h1-3H,(H2,11,13)(H2,12,15).
What are the key properties of 4-amino-6-iodocinnoline-3-carboxamide?
4-amino-6-iodocinnoline-3-carboxamide has a molecular weight of 314.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-iodocinnoline-3-carboxamide is sourced from PubChem (CID 71061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).