1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

C10H13ClN2O — CID 90040797

IUPAC1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H
InChIKeyJNOQWCCJHLJCSZ-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.78
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (PubChem CID 90040797) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
PubChem CID90040797
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H
InChIKeyJNOQWCCJHLJCSZ-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.78
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-1-carboxamide;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (CID 90040797) is 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is Cl.NC(=O)C1NCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The InChIKey is JNOQWCCJHLJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 0.78, 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-1-carboxamide;hydrochloride is sourced from PubChem (CID 90040797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).