9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline

C13H12BrN — CID 82449852

IUPAC9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESBrCc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C13H12BrN/c14-8-11-9-4-1-2-6-12(9)15-13-7-3-5-10(11)13/h1-2,4,6H,3,5,7-8H2
InChIKeyXJXXLEIHYJIEQN-UHFFFAOYSA-N
MW262.15 g/mol
LogP3.62
Rot. Bonds1

About 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline

9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 82449852) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID82449852
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESBrCc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C13H12BrN/c14-8-11-9-4-1-2-6-12(9)15-13-7-3-5-10(11)13/h1-2,4,6H,3,5,7-8H2
InChIKeyXJXXLEIHYJIEQN-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 110433935
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 6622084
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447

Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 82449852) is 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline is BrCc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is XJXXLEIHYJIEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c14-8-11-9-4-1-2-6-12(9)15-13-7-3-5-10(11)13/h1-2,4,6H,3,5,7-8H2.
What are the key properties of 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 262.15 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 82449852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).