1-isoquinolin-8-ylcyclopentane-1-carboxylic acid

C15H15NO2 — CID 117355312

IUPAC1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc3ccncc23)CCCC1
InChIInChI=1S/C15H15NO2/c17-14(18)15(7-1-2-8-15)13-5-3-4-11-6-9-16-10-12(11)13/h3-6,9-10H,1-2,7-8H2,(H,17,18)
InChIKeyJUPYEXQXCVKKDM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.13
Rot. Bonds2

About 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid

1-isoquinolin-8-ylcyclopentane-1-carboxylic acid (PubChem CID 117355312) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
PubChem CID117355312
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc3ccncc23)CCCC1
InChIInChI=1S/C15H15NO2/c17-14(18)15(7-1-2-8-15)13-5-3-4-11-6-9-16-10-12(11)13/h3-6,9-10H,1-2,7-8H2,(H,17,18)
InChIKeyJUPYEXQXCVKKDM-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115009157
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine
CID 103143267
1-isoquinolin-8-ylcyclohex-2-en-1-ol
CID 103143104
1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
CID 103142663
1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
CID 103142880
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
4-isoquinolin-8-yloxepan-4-amine
CID 103143260
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid (CID 117355312) is 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid is O=C(O)C1(c2cccc3ccncc23)CCCC1.
What is the InChIKey of 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid?
The InChIKey is JUPYEXQXCVKKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14(18)15(7-1-2-8-15)13-5-3-4-11-6-9-16-10-12(11)13/h3-6,9-10H,1-2,7-8H2,(H,17,18).
What are the key properties of 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid?
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 117355312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).