6-(4-bromophenyl)quinolino[2,3-c]quinoline

C22H13BrN2 — CID 122472002

IUPAC6-(4-bromophenyl)quinolino[2,3-c]quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3cc4ccccc4nc23)cc1
InChIInChI=1S/C22H13BrN2/c23-16-11-9-14(10-12-16)21-22-18(17-6-2-4-8-20(17)25-21)13-15-5-1-3-7-19(15)24-22/h1-13H
InChIKeyMNJFEJMXXJCTSG-UHFFFAOYSA-N
MW385.26 g/mol
LogP6.37
Rot. Bonds1

About 6-(4-bromophenyl)quinolino[2,3-c]quinoline

6-(4-bromophenyl)quinolino[2,3-c]quinoline (PubChem CID 122472002) has the molecular formula C22H13BrN2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 6-(4-bromophenyl)quinolino[2,3-c]quinoline.

Molecular Properties

Compound Name6-(4-bromophenyl)quinolino[2,3-c]quinoline
PubChem CID122472002
Molecular FormulaC22H13BrN2
Molecular Weight385.26 g/mol
Exact Mass384.03
IUPAC Name6-(4-bromophenyl)quinolino[2,3-c]quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3cc4ccccc4nc23)cc1
InChIInChI=1S/C22H13BrN2/c23-16-11-9-14(10-12-16)21-22-18(17-6-2-4-8-20(17)25-21)13-15-5-1-3-7-19(15)24-22/h1-13H
InChIKeyMNJFEJMXXJCTSG-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(4-bromophenyl)quinolino[2,3-c]quinoline 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 6-(4-bromophenyl)quinolino[2,3-c]quinoline?
The IUPAC name of 6-(4-bromophenyl)quinolino[2,3-c]quinoline (CID 122472002) is 6-(4-bromophenyl)quinolino[2,3-c]quinoline.
What is the SMILES notation for 6-(4-bromophenyl)quinolino[2,3-c]quinoline?
The canonical SMILES for 6-(4-bromophenyl)quinolino[2,3-c]quinoline is Brc1ccc(-c2nc3ccccc3c3cc4ccccc4nc23)cc1.
What is the InChIKey of 6-(4-bromophenyl)quinolino[2,3-c]quinoline?
The InChIKey is MNJFEJMXXJCTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2/c23-16-11-9-14(10-12-16)21-22-18(17-6-2-4-8-20(17)25-21)13-15-5-1-3-7-19(15)24-22/h1-13H.
What are the key properties of 6-(4-bromophenyl)quinolino[2,3-c]quinoline?
6-(4-bromophenyl)quinolino[2,3-c]quinoline has a molecular weight of 385.26 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)quinolino[2,3-c]quinoline is sourced from PubChem (CID 122472002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).