5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline

C12H9Br2N — CID 3705005

IUPAC5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESBrc1cc(Br)c2nc3c(cc2c1)CCC3
InChIInChI=1S/C12H9Br2N/c13-9-5-8-4-7-2-1-3-11(7)15-12(8)10(14)6-9/h4-6H,1-3H2
InChIKeyDAHMUJBHSOWVNQ-UHFFFAOYSA-N
MW327.02 g/mol
LogP4.25
Rot. Bonds

About 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline

5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 3705005) has the molecular formula C12H9Br2N and a molecular weight of 327.02 g/mol. Its IUPAC name is 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID3705005
Molecular FormulaC12H9Br2N
Molecular Weight327.02 g/mol
Exact Mass324.91
IUPAC Name5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESBrc1cc(Br)c2nc3c(cc2c1)CCC3
InChIInChI=1S/C12H9Br2N/c13-9-5-8-4-7-2-1-3-11(7)15-12(8)10(14)6-9/h4-6H,1-3H2
InChIKeyDAHMUJBHSOWVNQ-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 3705005) is 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline is Brc1cc(Br)c2nc3c(cc2c1)CCC3.
What is the InChIKey of 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is DAHMUJBHSOWVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N/c13-9-5-8-4-7-2-1-3-11(7)15-12(8)10(14)6-9/h4-6H,1-3H2.
What are the key properties of 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline?
5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 327.02 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 3705005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).