N-(8-aminoquinolin-5-yl)-4-iodobenzamide

C16H12IN3O — CID 104826395

IUPACN-(8-aminoquinolin-5-yl)-4-iodobenzamide
SMILESNc1ccc(NC(=O)c2ccc(I)cc2)c2cccnc12
InChIInChI=1S/C16H12IN3O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)15-12(14)2-1-9-19-15/h1-9H,18H2,(H,20,21)
InChIKeyXUTSRLIJSBAIST-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.67
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)-4-iodobenzamide

N-(8-aminoquinolin-5-yl)-4-iodobenzamide (PubChem CID 104826395) has the molecular formula C16H12IN3O and a molecular weight of 389.20 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-4-iodobenzamide
PubChem CID104826395
Molecular FormulaC16H12IN3O
Molecular Weight389.20 g/mol
Exact Mass389.00
IUPAC NameN-(8-aminoquinolin-5-yl)-4-iodobenzamide
SMILESNc1ccc(NC(=O)c2ccc(I)cc2)c2cccnc12
InChIInChI=1S/C16H12IN3O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)15-12(14)2-1-9-19-15/h1-9H,18H2,(H,20,21)
InChIKeyXUTSRLIJSBAIST-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
5-N-(2-iodophenyl)quinoline-5,8-diamine
CID 43449502
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-4-iodobenzamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-4-iodobenzamide (CID 104826395) is N-(8-aminoquinolin-5-yl)-4-iodobenzamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-4-iodobenzamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-4-iodobenzamide is Nc1ccc(NC(=O)c2ccc(I)cc2)c2cccnc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-4-iodobenzamide?
The InChIKey is XUTSRLIJSBAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O/c17-11-5-3-10(4-6-11)16(21)20-14-8-7-13(18)15-12(14)2-1-9-19-15/h1-9H,18H2,(H,20,21).
What are the key properties of N-(8-aminoquinolin-5-yl)-4-iodobenzamide?
N-(8-aminoquinolin-5-yl)-4-iodobenzamide has a molecular weight of 389.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-4-iodobenzamide is sourced from PubChem (CID 104826395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).