5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride

C10H14ClNO — CID 138044573

IUPAC5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride
SMILESCc1ccc(O)c2c1CCCN2.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h4-5,11-12H,2-3,6H2,1H3;1H
InChIKeyODZJVDQAOIXFQB-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.48
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride

5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride (PubChem CID 138044573) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride
PubChem CID138044573
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride
SMILESCc1ccc(O)c2c1CCCN2.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h4-5,11-12H,2-3,6H2,1H3;1H
InChIKeyODZJVDQAOIXFQB-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride (CID 138044573) is 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride is Cc1ccc(O)c2c1CCCN2.Cl.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride?
The InChIKey is ODZJVDQAOIXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h4-5,11-12H,2-3,6H2,1H3;1H.
What are the key properties of 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride?
5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride is sourced from PubChem (CID 138044573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).