4-bromo-3H-imidazo[4,5-c]quinoline

C10H6BrN3 — CID 86625982

IUPAC4-bromo-3H-imidazo[4,5-c]quinoline
SMILESBrc1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C10H6BrN3/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,12,13)
InChIKeyZATMOGBXZTYQAG-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.87
Rot. Bonds

About 4-bromo-3H-imidazo[4,5-c]quinoline

4-bromo-3H-imidazo[4,5-c]quinoline (PubChem CID 86625982) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-bromo-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-bromo-3H-imidazo[4,5-c]quinoline
PubChem CID86625982
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name4-bromo-3H-imidazo[4,5-c]quinoline
SMILESBrc1nc2ccccc2c2nc[nH]c12
InChIInChI=1S/C10H6BrN3/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,12,13)
InChIKeyZATMOGBXZTYQAG-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 4-bromo-3H-imidazo[4,5-c]quinoline (CID 86625982) is 4-bromo-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-bromo-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 4-bromo-3H-imidazo[4,5-c]quinoline is Brc1nc2ccccc2c2nc[nH]c12.
What is the InChIKey of 4-bromo-3H-imidazo[4,5-c]quinoline?
The InChIKey is ZATMOGBXZTYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-10-9-8(12-5-13-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,12,13).
What are the key properties of 4-bromo-3H-imidazo[4,5-c]quinoline?
4-bromo-3H-imidazo[4,5-c]quinoline has a molecular weight of 248.08 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 86625982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).