2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol

C16H10Br2N2O — CID 1239983

IUPAC2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc2ncccc12
InChIInChI=1S/C16H10Br2N2O/c17-11-7-10(16(21)13(18)8-11)9-20-15-5-1-4-14-12(15)3-2-6-19-14/h1-9,21H/b20-9+
InChIKeyYYVFNCNQIMUTPA-AWQFTUOYSA-N
MW406.08 g/mol
LogP5.22
Rot. Bonds2

About 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol

2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol (PubChem CID 1239983) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol
PubChem CID1239983
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc2ncccc12
InChIInChI=1S/C16H10Br2N2O/c17-11-7-10(16(21)13(18)8-11)9-20-15-5-1-4-14-12(15)3-2-6-19-14/h1-9,21H/b20-9+
InChIKeyYYVFNCNQIMUTPA-AWQFTUOYSA-N
XLogP5.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.08
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol 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 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol (CID 1239983) is 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cccc2ncccc12.
What is the InChIKey of 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol?
The InChIKey is YYVFNCNQIMUTPA-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-11-7-10(16(21)13(18)8-11)9-20-15-5-1-4-14-12(15)3-2-6-19-14/h1-9,21H/b20-9+.
What are the key properties of 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol?
2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol has a molecular weight of 406.08 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(quinolin-5-yliminomethyl)phenol is sourced from PubChem (CID 1239983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).