5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C10H13N3O — CID 15720676

IUPAC5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(\N)N1CCc2c(O)cccc2C1
InChIInChI=1S/C10H13N3O/c11-10(12)13-5-4-8-7(6-13)2-1-3-9(8)14/h1-3,14H,4-6H2,(H3,11,12)
InChIKeyNDFYJSUPIOLUTI-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.64
Rot. Bonds

About 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide

5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 15720676) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound Name5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID15720676
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(\N)N1CCc2c(O)cccc2C1
InChIInChI=1S/C10H13N3O/c11-10(12)13-5-4-8-7(6-13)2-1-3-9(8)14/h1-3,14H,4-6H2,(H3,11,12)
InChIKeyNDFYJSUPIOLUTI-UHFFFAOYSA-N
XLogP0.64
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid
CID 90674275
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128960292
4-bromo-5-fluoro-1,3-dihydroisoindole-2-carboximidamide
CID 121451396
(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 163317725
4-oxopiperidine-1-carboximidamide
CID 19089226
N-[[4-(5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]prop-2-enamide
CID 166411176
N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 18709604
N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-chlorobenzamide
CID 171346481
7-[1-[2-(4-acetylphenyl)acetyl]-5-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 158022442
2-[(2R)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104558998
2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone
CID 69450509
(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70734670

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 15720676) is 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide is [H]/N=C(\N)N1CCc2c(O)cccc2C1.
What is the InChIKey of 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is NDFYJSUPIOLUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(12)13-5-4-8-7(6-13)2-1-3-9(8)14/h1-3,14H,4-6H2,(H3,11,12).
What are the key properties of 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 191.23 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 15720676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).