8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C13H12BrNO2 — CID 54967458

IUPAC8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCOc1ccc(Br)c2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12BrNO2/c1-17-10-6-5-8(14)11-12(10)15-9-4-2-3-7(9)13(11)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyIJRSCAIMJWRKNL-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.79
Rot. Bonds1

About 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 54967458) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID54967458
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCOc1ccc(Br)c2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12BrNO2/c1-17-10-6-5-8(14)11-12(10)15-9-4-2-3-7(9)13(11)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyIJRSCAIMJWRKNL-UHFFFAOYSA-N
XLogP2.79
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 54967458) is 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is COc1ccc(Br)c2c(=O)c3c([nH]c12)CCC3.
What is the InChIKey of 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is IJRSCAIMJWRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-17-10-6-5-8(14)11-12(10)15-9-4-2-3-7(9)13(11)16/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 294.15 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 54967458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).