8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine

C15H11ClIN3 — CID 107606169

IUPAC8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(I)cc2Cl)c2ncccc12
InChIInChI=1S/C15H11ClIN3/c16-11-8-9(17)3-5-13(11)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2
InChIKeyROHDQUHYXYENNV-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.82
Rot. Bonds2

About 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine

8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine (PubChem CID 107606169) has the molecular formula C15H11ClIN3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
PubChem CID107606169
Molecular FormulaC15H11ClIN3
Molecular Weight395.63 g/mol
Exact Mass394.97
IUPAC Name8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(I)cc2Cl)c2ncccc12
InChIInChI=1S/C15H11ClIN3/c16-11-8-9(17)3-5-13(11)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2
InChIKeyROHDQUHYXYENNV-UHFFFAOYSA-N
XLogP4.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.82
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

8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
CID 107606277
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine (CID 107606169) is 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2ccc(I)cc2Cl)c2ncccc12.
What is the InChIKey of 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine?
The InChIKey is ROHDQUHYXYENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3/c16-11-8-9(17)3-5-13(11)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2.
What are the key properties of 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine?
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine has a molecular weight of 395.63 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 107606169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).