(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol

C11H15NO3 — CID 42625096

IUPAC(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cc2c(cc1OC)NC[C@H](O)C2
InChIInChI=1S/C11H15NO3/c1-14-10-4-7-3-8(13)6-12-9(7)5-11(10)15-2/h4-5,8,12-13H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyXEPCSBIKDXUJEN-MRVPVSSYSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds2

About (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol

(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 42625096) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID42625096
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cc2c(cc1OC)NC[C@H](O)C2
InChIInChI=1S/C11H15NO3/c1-14-10-4-7-3-8(13)6-12-9(7)5-11(10)15-2/h4-5,8,12-13H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyXEPCSBIKDXUJEN-MRVPVSSYSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-[2-(3,4-dimethoxyphenyl) ethylamino]propan-2-ol
CID 42609939
5,6-Dimethoxyindoline
CID 11062978
4-Hydroxy-6,7-Dimethoxyquinolin-2(1H)-One
CID 54712720
1-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-(1,2,3,4-tetrahydroquinolin-6-yloxy)propan-2-ol
CID 44589139
1-(2-Amino-4,5-dimethoxyphenyl)propan-1-ol
CID 46906492
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,5-dimethoxy-N-methylaniline
CID 13960836
6-Methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 23008907
2H,3H,6H,7H,8H-[1,4]dioxino[2,3-f]indole
CID 43617598
1-(3,4-Dimethoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 134951014
(3,4-Dimethoxy-phenyl)-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine
CID 429013
5-Methoxyindolin-6-ol
CID 15547921
5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]quinoline
CID 18998824

Frequently Asked Questions

What is the IUPAC name of (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol (CID 42625096) is (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol is COc1cc2c(cc1OC)NC[C@H](O)C2.
What is the InChIKey of (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is XEPCSBIKDXUJEN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10-4-7-3-8(13)6-12-9(7)5-11(10)15-2/h4-5,8,12-13H,3,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 209.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 42625096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).