10-bromobenzo[h]quinoline

C13H8BrN — CID 14971962

IUPAC10-bromobenzo[h]quinoline
SMILESBrc1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8BrN/c14-11-5-1-3-9-6-7-10-4-2-8-15-13(10)12(9)11/h1-8H
InChIKeyUSNMMZIRMGSWQB-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.15
Rot. Bonds

About 10-bromobenzo[h]quinoline

10-bromobenzo[h]quinoline (PubChem CID 14971962) has the molecular formula C13H8BrN and a molecular weight of 258.12 g/mol. Its IUPAC name is 10-bromobenzo[h]quinoline.

Molecular Properties

Compound Name10-bromobenzo[h]quinoline
PubChem CID14971962
Molecular FormulaC13H8BrN
Molecular Weight258.12 g/mol
Exact Mass256.98
IUPAC Name10-bromobenzo[h]quinoline
SMILESBrc1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8BrN/c14-11-5-1-3-9-6-7-10-4-2-8-15-13(10)12(9)11/h1-8H
InChIKeyUSNMMZIRMGSWQB-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 10-bromobenzo[h]quinoline?
The IUPAC name of 10-bromobenzo[h]quinoline (CID 14971962) is 10-bromobenzo[h]quinoline.
What is the SMILES notation for 10-bromobenzo[h]quinoline?
The canonical SMILES for 10-bromobenzo[h]quinoline is Brc1cccc2ccc3cccnc3c12.
What is the InChIKey of 10-bromobenzo[h]quinoline?
The InChIKey is USNMMZIRMGSWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN/c14-11-5-1-3-9-6-7-10-4-2-8-15-13(10)12(9)11/h1-8H.
What are the key properties of 10-bromobenzo[h]quinoline?
10-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 10-bromobenzo[h]quinoline is sourced from PubChem (CID 14971962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).