1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

C15H16N2O3 — CID 10788933

IUPAC1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESNc1ccc(O)cc1C1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C15H16N2O3/c16-12-2-1-9(18)6-11(12)15-10-7-14(20)13(19)5-8(10)3-4-17-15/h1-2,5-7,15,17-20H,3-4,16H2
InChIKeyLBNZXIQKZJBQPM-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds1

About 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol (PubChem CID 10788933) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol.

Molecular Properties

Compound Name1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID10788933
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESNc1ccc(O)cc1C1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C15H16N2O3/c16-12-2-1-9(18)6-11(12)15-10-7-14(20)13(19)5-8(10)3-4-17-15/h1-2,5-7,15,17-20H,3-4,16H2
InChIKeyLBNZXIQKZJBQPM-UHFFFAOYSA-N
XLogP1.62
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The IUPAC name of 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CID 10788933) is 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
What is the SMILES notation for 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The canonical SMILES for 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol is Nc1ccc(O)cc1C1NCCc2cc(O)c(O)cc21.
What is the InChIKey of 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The InChIKey is LBNZXIQKZJBQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-12-2-1-9(18)6-11(12)15-10-7-14(20)13(19)5-8(10)3-4-17-15/h1-2,5-7,15,17-20H,3-4,16H2.
What are the key properties of 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol has a molecular weight of 272.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol is sourced from PubChem (CID 10788933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).