8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

C13H11BrClNO — CID 54967603

IUPAC8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCOc1ccc(Br)c2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C13H11BrClNO/c1-17-10-6-5-8(14)11-12(15)7-3-2-4-9(7)16-13(10)11/h5-6H,2-4H2,1H3
InChIKeyNCFIFLDPUSVGOB-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.15
Rot. Bonds1

About 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 54967603) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID54967603
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCOc1ccc(Br)c2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C13H11BrClNO/c1-17-10-6-5-8(14)11-12(15)7-3-2-4-9(7)16-13(10)11/h5-6H,2-4H2,1H3
InChIKeyNCFIFLDPUSVGOB-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 54967603) is 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is COc1ccc(Br)c2c(Cl)c3c(nc12)CCC3.
What is the InChIKey of 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is NCFIFLDPUSVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-17-10-6-5-8(14)11-12(15)7-3-2-4-9(7)16-13(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 312.59 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 54967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).