7-bromobenzo[h]quinoline

C13H8BrN — CID 12548908

IUPAC7-bromobenzo[h]quinoline
SMILESBrc1cccc2c1ccc1cccnc12
InChIInChI=1S/C13H8BrN/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11/h1-8H
InChIKeyXMRNYBKUPTZTSI-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.15
Rot. Bonds

About 7-bromobenzo[h]quinoline

7-bromobenzo[h]quinoline (PubChem CID 12548908) has the molecular formula C13H8BrN and a molecular weight of 258.12 g/mol. Its IUPAC name is 7-bromobenzo[h]quinoline.

Molecular Properties

Compound Name7-bromobenzo[h]quinoline
PubChem CID12548908
Molecular FormulaC13H8BrN
Molecular Weight258.12 g/mol
Exact Mass256.98
IUPAC Name7-bromobenzo[h]quinoline
SMILESBrc1cccc2c1ccc1cccnc12
InChIInChI=1S/C13H8BrN/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11/h1-8H
InChIKeyXMRNYBKUPTZTSI-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromobenzo[h]quinoline?
The IUPAC name of 7-bromobenzo[h]quinoline (CID 12548908) is 7-bromobenzo[h]quinoline.
What is the SMILES notation for 7-bromobenzo[h]quinoline?
The canonical SMILES for 7-bromobenzo[h]quinoline is Brc1cccc2c1ccc1cccnc12.
What is the InChIKey of 7-bromobenzo[h]quinoline?
The InChIKey is XMRNYBKUPTZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-15-13(9)11/h1-8H.
What are the key properties of 7-bromobenzo[h]quinoline?
7-bromobenzo[h]quinoline has a molecular weight of 258.12 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromobenzo[h]quinoline is sourced from PubChem (CID 12548908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).