2-isoquinolin-4-ylacetic acid;hydrochloride

C11H10ClNO2 — CID 69200199

IUPAC2-isoquinolin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cncc2ccccc12
InChIInChI=1S/C11H9NO2.ClH/c13-11(14)5-9-7-12-6-8-3-1-2-4-10(8)9;/h1-4,6-7H,5H2,(H,13,14);1H
InChIKeyKCAQWNKLRHEAMQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.28
Rot. Bonds2

About 2-isoquinolin-4-ylacetic acid;hydrochloride

2-isoquinolin-4-ylacetic acid;hydrochloride (PubChem CID 69200199) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-isoquinolin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-isoquinolin-4-ylacetic acid;hydrochloride
PubChem CID69200199
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-isoquinolin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cncc2ccccc12
InChIInChI=1S/C11H9NO2.ClH/c13-11(14)5-9-7-12-6-8-3-1-2-4-10(8)9;/h1-4,6-7H,5H2,(H,13,14);1H
InChIKeyKCAQWNKLRHEAMQ-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-ylacetic acid;hydrochloride?
The IUPAC name of 2-isoquinolin-4-ylacetic acid;hydrochloride (CID 69200199) is 2-isoquinolin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-isoquinolin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2-isoquinolin-4-ylacetic acid;hydrochloride is Cl.O=C(O)Cc1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-ylacetic acid;hydrochloride?
The InChIKey is KCAQWNKLRHEAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.ClH/c13-11(14)5-9-7-12-6-8-3-1-2-4-10(8)9;/h1-4,6-7H,5H2,(H,13,14);1H.
What are the key properties of 2-isoquinolin-4-ylacetic acid;hydrochloride?
2-isoquinolin-4-ylacetic acid;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-ylacetic acid;hydrochloride is sourced from PubChem (CID 69200199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).