2-bromo-4-quinolin-5-yloxybenzenecarboximidamide

C16H12BrN3O — CID 107279689

IUPAC2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc3ncccc23)cc1Br
InChIInChI=1S/C16H12BrN3O/c17-13-9-10(6-7-11(13)16(18)19)21-15-5-1-4-14-12(15)3-2-8-20-14/h1-9H,(H3,18,19)
InChIKeyZBKJHDWRZUANRO-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.07
Rot. Bonds3

About 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide

2-bromo-4-quinolin-5-yloxybenzenecarboximidamide (PubChem CID 107279689) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
PubChem CID107279689
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc3ncccc23)cc1Br
InChIInChI=1S/C16H12BrN3O/c17-13-9-10(6-7-11(13)16(18)19)21-15-5-1-4-14-12(15)3-2-8-20-14/h1-9H,(H3,18,19)
InChIKeyZBKJHDWRZUANRO-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-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
5-(4-methoxyphenoxy)quinoline
CID 122457274
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(2-butan-2-ylphenoxy)benzenecarboximidamide
CID 107279485
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
5-pyridin-4-yloxyquinoline
CID 91445201
5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
CID 145139401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide (CID 107279689) is 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc3ncccc23)cc1Br.
What is the InChIKey of 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide?
The InChIKey is ZBKJHDWRZUANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-9-10(6-7-11(13)16(18)19)21-15-5-1-4-14-12(15)3-2-8-20-14/h1-9H,(H3,18,19).
What are the key properties of 2-bromo-4-quinolin-5-yloxybenzenecarboximidamide?
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide 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-bromo-4-quinolin-5-yloxybenzenecarboximidamide is sourced from PubChem (CID 107279689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).