5-N-(4-iodophenyl)isoquinoline-5,8-diamine

C15H12IN3 — CID 43448766

IUPAC5-N-(4-iodophenyl)isoquinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(I)cc2)c2ccncc12
InChIInChI=1S/C15H12IN3/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9,19H,17H2
InChIKeyXPYWDJXOHHSRPM-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.17
Rot. Bonds2

About 5-N-(4-iodophenyl)isoquinoline-5,8-diamine

5-N-(4-iodophenyl)isoquinoline-5,8-diamine (PubChem CID 43448766) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-N-(4-iodophenyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(4-iodophenyl)isoquinoline-5,8-diamine
PubChem CID43448766
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name5-N-(4-iodophenyl)isoquinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(I)cc2)c2ccncc12
InChIInChI=1S/C15H12IN3/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9,19H,17H2
InChIKeyXPYWDJXOHHSRPM-UHFFFAOYSA-N
XLogP4.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.17
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'}

Analyze 5-N-(4-iodophenyl)isoquinoline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 43448787
8-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 103137089
5-N-(2,5-difluorophenyl)isoquinoline-5,8-diamine
CID 43448757
5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine
CID 43448805
5-N-(4-bromo-2-fluorophenyl)isoquinoline-5,8-diamine
CID 43448758
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-N-(3-bromo-4-chlorophenyl)isoquinoline-5,8-diamine
CID 103138705
8-N-(3-chloro-4-methoxyphenyl)isoquinoline-5,8-diamine
CID 103136960
8-N-(2-bromo-4-fluorophenyl)isoquinoline-5,8-diamine
CID 103137126
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815
5-N-butylisoquinoline-5,8-diamine
CID 43448702
3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-iodophenyl)isoquinoline-5,8-diamine?
The IUPAC name of 5-N-(4-iodophenyl)isoquinoline-5,8-diamine (CID 43448766) is 5-N-(4-iodophenyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-(4-iodophenyl)isoquinoline-5,8-diamine?
The canonical SMILES for 5-N-(4-iodophenyl)isoquinoline-5,8-diamine is Nc1ccc(Nc2ccc(I)cc2)c2ccncc12.
What is the InChIKey of 5-N-(4-iodophenyl)isoquinoline-5,8-diamine?
The InChIKey is XPYWDJXOHHSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9,19H,17H2.
What are the key properties of 5-N-(4-iodophenyl)isoquinoline-5,8-diamine?
5-N-(4-iodophenyl)isoquinoline-5,8-diamine has a molecular weight of 361.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-iodophenyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 43448766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).