6-(6-bromoquinolin-2-yl)benzo[h]quinoline

C22H13BrN2 — CID 129208702

IUPAC6-(6-bromoquinolin-2-yl)benzo[h]quinoline
SMILESBrc1ccc2nc(-c3cc4cccnc4c4ccccc34)ccc2c1
InChIInChI=1S/C22H13BrN2/c23-16-8-10-20-14(12-16)7-9-21(25-20)19-13-15-4-3-11-24-22(15)18-6-2-1-5-17(18)19/h1-13H
InChIKeyGQEICYURAASDDH-UHFFFAOYSA-N
MW385.26 g/mol
LogP6.37
Rot. Bonds1

About 6-(6-bromoquinolin-2-yl)benzo[h]quinoline

6-(6-bromoquinolin-2-yl)benzo[h]quinoline (PubChem CID 129208702) has the molecular formula C22H13BrN2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 6-(6-bromoquinolin-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name6-(6-bromoquinolin-2-yl)benzo[h]quinoline
PubChem CID129208702
Molecular FormulaC22H13BrN2
Molecular Weight385.26 g/mol
Exact Mass384.03
IUPAC Name6-(6-bromoquinolin-2-yl)benzo[h]quinoline
SMILESBrc1ccc2nc(-c3cc4cccnc4c4ccccc34)ccc2c1
InChIInChI=1S/C22H13BrN2/c23-16-8-10-20-14(12-16)7-9-21(25-20)19-13-15-4-3-11-24-22(15)18-6-2-1-5-17(18)19/h1-13H
InChIKeyGQEICYURAASDDH-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoquinolin-2-yl)benzo[h]quinoline?
The IUPAC name of 6-(6-bromoquinolin-2-yl)benzo[h]quinoline (CID 129208702) is 6-(6-bromoquinolin-2-yl)benzo[h]quinoline.
What is the SMILES notation for 6-(6-bromoquinolin-2-yl)benzo[h]quinoline?
The canonical SMILES for 6-(6-bromoquinolin-2-yl)benzo[h]quinoline is Brc1ccc2nc(-c3cc4cccnc4c4ccccc34)ccc2c1.
What is the InChIKey of 6-(6-bromoquinolin-2-yl)benzo[h]quinoline?
The InChIKey is GQEICYURAASDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2/c23-16-8-10-20-14(12-16)7-9-21(25-20)19-13-15-4-3-11-24-22(15)18-6-2-1-5-17(18)19/h1-13H.
What are the key properties of 6-(6-bromoquinolin-2-yl)benzo[h]quinoline?
6-(6-bromoquinolin-2-yl)benzo[h]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-(6-bromoquinolin-2-yl)benzo[h]quinoline is sourced from PubChem (CID 129208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).