(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C10H13ClN2O — CID 69190096

IUPAC(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H/t9-;/m0./s1
InChIKeyYVDFHJIRJYRGKN-FVGYRXGTSA-N
MW212.68 g/mol
LogP0.61
Rot. Bonds1

About (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 69190096) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID69190096
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H/t9-;/m0./s1
InChIKeyYVDFHJIRJYRGKN-FVGYRXGTSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 69190096) is (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is YVDFHJIRJYRGKN-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H/t9-;/m0./s1.
What are the key properties of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 69190096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).