2-(2-bromophenyl)benzo[h]quinoline

C19H12BrN — CID 134958685

IUPAC2-(2-bromophenyl)benzo[h]quinoline
SMILESBrc1ccccc1-c1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C19H12BrN/c20-17-8-4-3-7-16(17)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)21-18/h1-12H
InChIKeyVJABKDZGBULKKO-UHFFFAOYSA-N
MW334.22 g/mol
LogP5.82
Rot. Bonds1

About 2-(2-bromophenyl)benzo[h]quinoline

2-(2-bromophenyl)benzo[h]quinoline (PubChem CID 134958685) has the molecular formula C19H12BrN and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(2-bromophenyl)benzo[h]quinoline
PubChem CID134958685
Molecular FormulaC19H12BrN
Molecular Weight334.22 g/mol
Exact Mass333.02
IUPAC Name2-(2-bromophenyl)benzo[h]quinoline
SMILESBrc1ccccc1-c1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C19H12BrN/c20-17-8-4-3-7-16(17)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)21-18/h1-12H
InChIKeyVJABKDZGBULKKO-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.82
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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Related Compounds

Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Benz(a)acridine
CID 9180
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
3-Methylbenzo(f)quinoline
CID 6797
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
7,10-Dimethylbenz(c)acridine
CID 16936
Benzo[h]quinoline, 2,4-dimethyl-
CID 610182

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)benzo[h]quinoline?
The IUPAC name of 2-(2-bromophenyl)benzo[h]quinoline (CID 134958685) is 2-(2-bromophenyl)benzo[h]quinoline.
What is the SMILES notation for 2-(2-bromophenyl)benzo[h]quinoline?
The canonical SMILES for 2-(2-bromophenyl)benzo[h]quinoline is Brc1ccccc1-c1ccc2ccc3ccccc3c2n1.
What is the InChIKey of 2-(2-bromophenyl)benzo[h]quinoline?
The InChIKey is VJABKDZGBULKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN/c20-17-8-4-3-7-16(17)18-12-11-14-10-9-13-5-1-2-6-15(13)19(14)21-18/h1-12H.
What are the key properties of 2-(2-bromophenyl)benzo[h]quinoline?
2-(2-bromophenyl)benzo[h]quinoline has a molecular weight of 334.22 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)benzo[h]quinoline is sourced from PubChem (CID 134958685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).