1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid

C15H14BrNO2S — CID 86291821

IUPAC1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCCC1
InChIInChI=1S/C15H14BrNO2S/c16-10-3-4-12-11(9-10)13(5-8-17-12)20-15(14(18)19)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,18,19)
InChIKeyGGHJJKMZKBPJRM-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds3

About 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid

1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 86291821) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID86291821
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCCC1
InChIInChI=1S/C15H14BrNO2S/c16-10-3-4-12-11(9-10)13(5-8-17-12)20-15(14(18)19)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,18,19)
InChIKeyGGHJJKMZKBPJRM-UHFFFAOYSA-N
XLogP4.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid (CID 86291821) is 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid is O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCCC1.
What is the InChIKey of 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is GGHJJKMZKBPJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-10-3-4-12-11(9-10)13(5-8-17-12)20-15(14(18)19)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,18,19).
What are the key properties of 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid?
1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 352.25 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 86291821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).