1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol

C10H13NO2 — CID 84656928

IUPAC1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
SMILESCC1NCCc2cc(O)cc(O)c21
InChIInChI=1S/C10H13NO2/c1-6-10-7(2-3-11-6)4-8(12)5-9(10)13/h4-6,11-13H,2-3H2,1H3
InChIKeySRKYUFSSBLFNNA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol

1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol (PubChem CID 84656928) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
PubChem CID84656928
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
SMILESCC1NCCc2cc(O)cc(O)c21
InChIInChI=1S/C10H13NO2/c1-6-10-7(2-3-11-6)4-8(12)5-9(10)13/h4-6,11-13H,2-3H2,1H3
InChIKeySRKYUFSSBLFNNA-UHFFFAOYSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 22864084
7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 84657899
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83370908
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84667322
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84702416
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53213679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol (CID 84656928) is 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol is CC1NCCc2cc(O)cc(O)c21.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The InChIKey is SRKYUFSSBLFNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-10-7(2-3-11-6)4-8(12)5-9(10)13/h4-6,11-13H,2-3H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol has a molecular weight of 179.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol is sourced from PubChem (CID 84656928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).