3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine

C15H10BrFIN3 — CID 106949496

IUPAC3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(F)cc2I)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFIN3/c16-8-5-10-12(19)2-4-14(15(10)20-7-8)21-13-3-1-9(17)6-11(13)18/h1-7,21H,19H2
InChIKeyFJFFOYZDMIROCH-UHFFFAOYSA-N
MW458.07 g/mol
LogP5.07
Rot. Bonds2

About 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine

3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine (PubChem CID 106949496) has the molecular formula C15H10BrFIN3 and a molecular weight of 458.07 g/mol. Its IUPAC name is 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
PubChem CID106949496
Molecular FormulaC15H10BrFIN3
Molecular Weight458.07 g/mol
Exact Mass456.91
IUPAC Name3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(F)cc2I)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFIN3/c16-8-5-10-12(19)2-4-14(15(10)20-7-8)21-13-3-1-9(17)6-11(13)18/h1-7,21H,19H2
InChIKeyFJFFOYZDMIROCH-UHFFFAOYSA-N
XLogP5.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.07
LogP ≤ 55.07
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

3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine (CID 106949496) is 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2ccc(F)cc2I)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine?
The InChIKey is FJFFOYZDMIROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFIN3/c16-8-5-10-12(19)2-4-14(15(10)20-7-8)21-13-3-1-9(17)6-11(13)18/h1-7,21H,19H2.
What are the key properties of 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine?
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine has a molecular weight of 458.07 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).