5-N-(2-iodophenyl)quinoline-5,8-diamine

C15H12IN3 — CID 43449502

IUPAC5-N-(2-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccccc2I)c2cccnc12
InChIInChI=1S/C15H12IN3/c16-11-5-1-2-6-14(11)19-13-8-7-12(17)15-10(13)4-3-9-18-15/h1-9,19H,17H2
InChIKeyJEXMSXFYDQIIEE-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.17
Rot. Bonds2

About 5-N-(2-iodophenyl)quinoline-5,8-diamine

5-N-(2-iodophenyl)quinoline-5,8-diamine (PubChem CID 43449502) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-N-(2-iodophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2-iodophenyl)quinoline-5,8-diamine
PubChem CID43449502
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name5-N-(2-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccccc2I)c2cccnc12
InChIInChI=1S/C15H12IN3/c16-11-5-1-2-6-14(11)19-13-8-7-12(17)15-10(13)4-3-9-18-15/h1-9,19H,17H2
InChIKeyJEXMSXFYDQIIEE-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-iodophenyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(2-iodophenyl)quinoline-5,8-diamine (CID 43449502) is 5-N-(2-iodophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2-iodophenyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(2-iodophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2ccccc2I)c2cccnc12.
What is the InChIKey of 5-N-(2-iodophenyl)quinoline-5,8-diamine?
The InChIKey is JEXMSXFYDQIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c16-11-5-1-2-6-14(11)19-13-8-7-12(17)15-10(13)4-3-9-18-15/h1-9,19H,17H2.
What are the key properties of 5-N-(2-iodophenyl)quinoline-5,8-diamine?
5-N-(2-iodophenyl)quinoline-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-(2-iodophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43449502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).