1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride

C10H13ClN2O — CID 121334078

IUPAC1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8;/h1-2,5,12H,3-4,6H2,(H2,11,13);1H
InChIKeyPPQQVDDPIRXGPT-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.85
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride

1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride (PubChem CID 121334078) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
PubChem CID121334078
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H12N2O.ClH/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8;/h1-2,5,12H,3-4,6H2,(H2,11,13);1H
InChIKeyPPQQVDDPIRXGPT-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

carbamoyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 91560040
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
1,2,3,4-tetrahydroisoquinolin-7-amine;3-(trifluoromethoxy)benzamide
CID 142270751
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
4-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-3-ynamide
CID 170473248
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 114387472
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pent-3-yn-1-one
CID 116609250
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pent-4-en-1-one
CID 114478071
(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609316
(3,5-dimethylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609372

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride (CID 121334078) is 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride is Cl.NC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride?
The InChIKey is PPQQVDDPIRXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8;/h1-2,5,12H,3-4,6H2,(H2,11,13);1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 0.85, 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-carboxamide;hydrochloride is sourced from PubChem (CID 121334078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).