1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 53420299

IUPAC1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8;/h1-2,5,11H,3-4,6H2,(H,12,13);1H
InChIKeyAAOPPOUJUYGRIN-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.45
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride

1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride (PubChem CID 53420299) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride
PubChem CID53420299
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8;/h1-2,5,11H,3-4,6H2,(H,12,13);1H
InChIKeyAAOPPOUJUYGRIN-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride (CID 53420299) is 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride?
The InChIKey is AAOPPOUJUYGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8;/h1-2,5,11H,3-4,6H2,(H,12,13);1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 53420299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).