N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine

C16H12BrN3 — CID 5334260

IUPACN-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine
SMILESBrc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H12BrN3/c17-14-8-5-12(6-9-14)11-18-20-16-10-7-13-3-1-2-4-15(13)19-16/h1-11H,(H,19,20)/b18-11+
InChIKeyDXWAHLXNODMICP-WOJGMQOQSA-N
MW326.20 g/mol
LogP4.44
Rot. Bonds3

About N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine

N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine (PubChem CID 5334260) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine
PubChem CID5334260
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine
SMILESBrc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H12BrN3/c17-14-8-5-12(6-9-14)11-18-20-16-10-7-13-3-1-2-4-15(13)19-16/h1-11H,(H,19,20)/b18-11+
InChIKeyDXWAHLXNODMICP-WOJGMQOQSA-N
XLogP4.44
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine (CID 5334260) is N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine is Brc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine?
The InChIKey is DXWAHLXNODMICP-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-14-8-5-12(6-9-14)11-18-20-16-10-7-13-3-1-2-4-15(13)19-16/h1-11H,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine?
N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine has a molecular weight of 326.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 5334260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).