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

C10H14Cl2N2O — CID 173135216

IUPAC1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C10H12N2O.2ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;;/h1-4,9,12H,5-6H2,(H2,11,13);2*1H
InChIKeyOLWFDCKJCDURKX-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.20
Rot. Bonds1

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

1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride (PubChem CID 173135216) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
PubChem CID173135216
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C10H12N2O.2ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;;/h1-4,9,12H,5-6H2,(H2,11,13);2*1H
InChIKeyOLWFDCKJCDURKX-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707
1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
CID 22358994
5-chloro-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrate
CID 67983809
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578
(3-amino-2,2-dimethylpropyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 54185238

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride (CID 173135216) is 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1NCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride?
The InChIKey is OLWFDCKJCDURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;;/h1-4,9,12H,5-6H2,(H2,11,13);2*1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride?
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.20, 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;dihydrochloride is sourced from PubChem (CID 173135216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).