2-isoquinolin-8-yloxypropanoic acid

C12H11NO3 — CID 82580347

IUPAC2-isoquinolin-8-yloxypropanoic acid
SMILESCC(Oc1cccc2ccncc12)C(=O)O
InChIInChI=1S/C12H11NO3/c1-8(12(14)15)16-11-4-2-3-9-5-6-13-7-10(9)11/h2-8H,1H3,(H,14,15)
InChIKeyUYNUQCNGZBQCQU-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.09
Rot. Bonds3

About 2-isoquinolin-8-yloxypropanoic acid

2-isoquinolin-8-yloxypropanoic acid (PubChem CID 82580347) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-isoquinolin-8-yloxypropanoic acid.

Molecular Properties

Compound Name2-isoquinolin-8-yloxypropanoic acid
PubChem CID82580347
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-isoquinolin-8-yloxypropanoic acid
SMILESCC(Oc1cccc2ccncc12)C(=O)O
InChIInChI=1S/C12H11NO3/c1-8(12(14)15)16-11-4-2-3-9-5-6-13-7-10(9)11/h2-8H,1H3,(H,14,15)
InChIKeyUYNUQCNGZBQCQU-UHFFFAOYSA-N
XLogP2.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-isoquinolin-8-yloxypropanamide
CID 82580468
2-(3-pyridin-4-yl-2-sulfanylphenoxy)propanoic acid
CID 135960883
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
(2S)-2-(1H-indazol-4-yloxy)propanoic acid
CID 137347017
2-pyridin-3-yloxypropanoic acid
CID 22668209
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-(4-methylquinolin-8-yl)oxypropanoic acid
CID 82580360
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
CID 25272767

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-yloxypropanoic acid?
The IUPAC name of 2-isoquinolin-8-yloxypropanoic acid (CID 82580347) is 2-isoquinolin-8-yloxypropanoic acid.
What is the SMILES notation for 2-isoquinolin-8-yloxypropanoic acid?
The canonical SMILES for 2-isoquinolin-8-yloxypropanoic acid is CC(Oc1cccc2ccncc12)C(=O)O.
What is the InChIKey of 2-isoquinolin-8-yloxypropanoic acid?
The InChIKey is UYNUQCNGZBQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(12(14)15)16-11-4-2-3-9-5-6-13-7-10(9)11/h2-8H,1H3,(H,14,15).
What are the key properties of 2-isoquinolin-8-yloxypropanoic acid?
2-isoquinolin-8-yloxypropanoic acid has a molecular weight of 217.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yloxypropanoic acid is sourced from PubChem (CID 82580347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).