5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride

C10H15Cl2NO — CID 133058760

IUPAC5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
SMILESCOc1cccc2c1CCCN2.Cl.Cl
InChIInChI=1S/C10H13NO.2ClH/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;;/h2,5-6,11H,3-4,7H2,1H3;2*1H
InChIKeyOBAQTOSAAGCVRR-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.90
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride

5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride (PubChem CID 133058760) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
PubChem CID133058760
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
SMILESCOc1cccc2c1CCCN2.Cl.Cl
InChIInChI=1S/C10H13NO.2ClH/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;;/h2,5-6,11H,3-4,7H2,1H3;2*1H
InChIKeyOBAQTOSAAGCVRR-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 103180421
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
CID 114764886
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
6-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 67827017
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride (CID 133058760) is 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride is COc1cccc2c1CCCN2.Cl.Cl.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride?
The InChIKey is OBAQTOSAAGCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2ClH/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;;/h2,5-6,11H,3-4,7H2,1H3;2*1H.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride?
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride is sourced from PubChem (CID 133058760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).