6-methylisoquinoline-3-carboxylic acid;hydrochloride

C11H10ClNO2 — CID 155943691

IUPAC6-methylisoquinoline-3-carboxylic acid;hydrochloride
SMILESCc1ccc2cnc(C(=O)O)cc2c1.Cl
InChIInChI=1S/C11H9NO2.ClH/c1-7-2-3-8-6-12-10(11(13)14)5-9(8)4-7;/h2-6H,1H3,(H,13,14);1H
InChIKeyULUNOPBTVLHWSR-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.66
Rot. Bonds1

About 6-methylisoquinoline-3-carboxylic acid;hydrochloride

6-methylisoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 155943691) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-methylisoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methylisoquinoline-3-carboxylic acid;hydrochloride
PubChem CID155943691
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name6-methylisoquinoline-3-carboxylic acid;hydrochloride
SMILESCc1ccc2cnc(C(=O)O)cc2c1.Cl
InChIInChI=1S/C11H9NO2.ClH/c1-7-2-3-8-6-12-10(11(13)14)5-9(8)4-7;/h2-6H,1H3,(H,13,14);1H
InChIKeyULUNOPBTVLHWSR-UHFFFAOYSA-N
XLogP2.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylisoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-methylisoquinoline-3-carboxylic acid;hydrochloride (CID 155943691) is 6-methylisoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methylisoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methylisoquinoline-3-carboxylic acid;hydrochloride is Cc1ccc2cnc(C(=O)O)cc2c1.Cl.
What is the InChIKey of 6-methylisoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is ULUNOPBTVLHWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.ClH/c1-7-2-3-8-6-12-10(11(13)14)5-9(8)4-7;/h2-6H,1H3,(H,13,14);1H.
What are the key properties of 6-methylisoquinoline-3-carboxylic acid;hydrochloride?
6-methylisoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylisoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 155943691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).