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

C9H12N2O — CID 118989908

IUPAC(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
SMILESN[C@@H]1CCNc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1
InChIKeyMEGQELBITWKNRR-MRVPVSSYSA-N
MW164.21 g/mol
LogP1.21
Rot. Bonds

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

(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol (PubChem CID 118989908) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol.

Molecular Properties

Compound Name(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
PubChem CID118989908
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
SMILESN[C@@H]1CCNc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1
InChIKeyMEGQELBITWKNRR-MRVPVSSYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol?
The IUPAC name of (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol (CID 118989908) is (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol.
What is the SMILES notation for (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol?
The canonical SMILES for (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol is N[C@@H]1CCNc2ccc(O)cc21.
What is the InChIKey of (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol?
The InChIKey is MEGQELBITWKNRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4,10H2/t8-/m1/s1.
What are the key properties of (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol?
(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol has a molecular weight of 164.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol is sourced from PubChem (CID 118989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).