1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

C15H22N2O3 — CID 21494271

IUPAC1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESOc1cc2c(cc1O)C(CCN1CCOCC1)NCC2
InChIInChI=1S/C15H22N2O3/c18-14-9-11-1-3-16-13(12(11)10-15(14)19)2-4-17-5-7-20-8-6-17/h9-10,13,16,18-19H,1-8H2
InChIKeyLCTQCQLQFJYJDK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol (PubChem CID 21494271) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID21494271
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESOc1cc2c(cc1O)C(CCN1CCOCC1)NCC2
InChIInChI=1S/C15H22N2O3/c18-14-9-11-1-3-16-13(12(11)10-15(14)19)2-4-17-5-7-20-8-6-17/h9-10,13,16,18-19H,1-8H2
InChIKeyLCTQCQLQFJYJDK-UHFFFAOYSA-N
XLogP1.01
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;dihydrochloride
CID 21494283
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427
1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 67158558
(1S)-1-decyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 98157851
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 22298077
1-[(2-bromo-4,5-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
CID 171370606
hydron;1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;chloride
CID 91827708
(1S)-1-(cyclohexylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 96991114
4-(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butanimidamide
CID 162881214
4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
CID 171396484
1-(1H-indol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 121305536
(1R)-1-[(3,5-diiodo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
CID 10166900

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CID 21494271) is 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol is Oc1cc2c(cc1O)C(CCN1CCOCC1)NCC2.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
The InChIKey is LCTQCQLQFJYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-9-11-1-3-16-13(12(11)10-15(14)19)2-4-17-5-7-20-8-6-17/h9-10,13,16,18-19H,1-8H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol?
1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol has a molecular weight of 278.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol is sourced from PubChem (CID 21494271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).