7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine

C15H11FIN3 — CID 83174234

IUPAC7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(Nc2cccc(I)c2)c2ncccc12
InChIInChI=1S/C15H11FIN3/c16-12-8-13(18)11-5-2-6-19-14(11)15(12)20-10-4-1-3-9(17)7-10/h1-8,20H,18H2
InChIKeyXATQTFBSJULJOX-UHFFFAOYSA-N
MW379.18 g/mol
LogP4.30
Rot. Bonds2

About 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine

7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine (PubChem CID 83174234) has the molecular formula C15H11FIN3 and a molecular weight of 379.18 g/mol. Its IUPAC name is 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine
PubChem CID83174234
Molecular FormulaC15H11FIN3
Molecular Weight379.18 g/mol
Exact Mass379.00
IUPAC Name7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(Nc2cccc(I)c2)c2ncccc12
InChIInChI=1S/C15H11FIN3/c16-12-8-13(18)11-5-2-6-19-14(11)15(12)20-10-4-1-3-9(17)7-10/h1-8,20H,18H2
InChIKeyXATQTFBSJULJOX-UHFFFAOYSA-N
XLogP4.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 54.30
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-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
8-N-(5-chloro-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163913
8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163885
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine (CID 83174234) is 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine is Nc1cc(F)c(Nc2cccc(I)c2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine?
The InChIKey is XATQTFBSJULJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3/c16-12-8-13(18)11-5-2-6-19-14(11)15(12)20-10-4-1-3-9(17)7-10/h1-8,20H,18H2.
What are the key properties of 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine?
7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine has a molecular weight of 379.18 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(3-iodophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 83174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).