6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine

C15H11FIN3 — CID 79769203

IUPAC6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2ccc(F)cc2I)ccc2ncccc12
InChIInChI=1S/C15H11FIN3/c16-9-3-4-13(11(17)8-9)20-14-6-5-12-10(15(14)18)2-1-7-19-12/h1-8,20H,18H2
InChIKeyXWBFXAXFLBRYQQ-UHFFFAOYSA-N
MW379.18 g/mol
LogP4.30
Rot. Bonds2

About 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine

6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine (PubChem CID 79769203) has the molecular formula C15H11FIN3 and a molecular weight of 379.18 g/mol. Its IUPAC name is 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
PubChem CID79769203
Molecular FormulaC15H11FIN3
Molecular Weight379.18 g/mol
Exact Mass379.00
IUPAC Name6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2ccc(F)cc2I)ccc2ncccc12
InChIInChI=1S/C15H11FIN3/c16-9-3-4-13(11(17)8-9)20-14-6-5-12-10(15(14)18)2-1-7-19-12/h1-8,20H,18H2
InChIKeyXWBFXAXFLBRYQQ-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

6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine (CID 79769203) is 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine is Nc1c(Nc2ccc(F)cc2I)ccc2ncccc12.
What is the InChIKey of 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine?
The InChIKey is XWBFXAXFLBRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3/c16-9-3-4-13(11(17)8-9)20-14-6-5-12-10(15(14)18)2-1-7-19-12/h1-8,20H,18H2.
What are the key properties of 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine?
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-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 6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine is sourced from PubChem (CID 79769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).