2-(4-bromophenoxy)quinoline-4-carboximidamide

C16H12BrN3O — CID 63884544

IUPAC2-(4-bromophenoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H12BrN3O/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)19)12-3-1-2-4-14(12)20-15/h1-9H,(H3,18,19)
InChIKeyVQIJKGDWUIWVCK-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-bromophenoxy)quinoline-4-carboximidamide

2-(4-bromophenoxy)quinoline-4-carboximidamide (PubChem CID 63884544) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)quinoline-4-carboximidamide
PubChem CID63884544
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromophenoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H12BrN3O/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)19)12-3-1-2-4-14(12)20-15/h1-9H,(H3,18,19)
InChIKeyVQIJKGDWUIWVCK-UHFFFAOYSA-N
XLogP4.07
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)quinoline-4-carboxamide
CID 749895
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
2-propoxyquinoline-4-carboximidamide
CID 63885122
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
CID 63884159

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)quinoline-4-carboximidamide?
The IUPAC name of 2-(4-bromophenoxy)quinoline-4-carboximidamide (CID 63884544) is 2-(4-bromophenoxy)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(4-bromophenoxy)quinoline-4-carboximidamide?
The canonical SMILES for 2-(4-bromophenoxy)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(Oc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenoxy)quinoline-4-carboximidamide?
The InChIKey is VQIJKGDWUIWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)19)12-3-1-2-4-14(12)20-15/h1-9H,(H3,18,19).
What are the key properties of 2-(4-bromophenoxy)quinoline-4-carboximidamide?
2-(4-bromophenoxy)quinoline-4-carboximidamide has a molecular weight of 342.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)quinoline-4-carboximidamide is sourced from PubChem (CID 63884544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).