4-iodocinnoline-3-carboxamide

C9H6IN3O — CID 154180068

IUPAC4-iodocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1I
InChIInChI=1S/C9H6IN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14)
InChIKeyLIGCWBZFZAGONJ-UHFFFAOYSA-N
MW299.07 g/mol
LogP1.33
Rot. Bonds1

About 4-iodocinnoline-3-carboxamide

4-iodocinnoline-3-carboxamide (PubChem CID 154180068) has the molecular formula C9H6IN3O and a molecular weight of 299.07 g/mol. Its IUPAC name is 4-iodocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-iodocinnoline-3-carboxamide
PubChem CID154180068
Molecular FormulaC9H6IN3O
Molecular Weight299.07 g/mol
Exact Mass298.96
IUPAC Name4-iodocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1I
InChIInChI=1S/C9H6IN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14)
InChIKeyLIGCWBZFZAGONJ-UHFFFAOYSA-N
XLogP1.33
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluorocinnoline-3-carboxamide
CID 154140705
1,2,3-benzotriazine-4-carboxamide
CID 90188678
4-amino-6-iodocinnoline-3-carboxamide
CID 71061186
4-(2-iodophenoxy)cinnoline-3-carboxylic acid
CID 64622260
4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
CID 67104775
sodium 3-carbamoylquinoxaline-2-carboxylate
CID 135044393
4-(N-methylanilino)cinnoline-3-carboxylic acid
CID 64622262
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
CID 64624967
4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
CID 10514551
2-amino-2-cinnolin-4-ylacetamide
CID 169193270
3-amino-4-nitroquinoline-2-carboxamide
CID 19034639

Frequently Asked Questions

What is the IUPAC name of 4-iodocinnoline-3-carboxamide?
The IUPAC name of 4-iodocinnoline-3-carboxamide (CID 154180068) is 4-iodocinnoline-3-carboxamide.
What is the SMILES notation for 4-iodocinnoline-3-carboxamide?
The canonical SMILES for 4-iodocinnoline-3-carboxamide is NC(=O)c1nnc2ccccc2c1I.
What is the InChIKey of 4-iodocinnoline-3-carboxamide?
The InChIKey is LIGCWBZFZAGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14).
What are the key properties of 4-iodocinnoline-3-carboxamide?
4-iodocinnoline-3-carboxamide has a molecular weight of 299.07 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodocinnoline-3-carboxamide is sourced from PubChem (CID 154180068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).