3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride

C10H14ClNO — CID 155943544

IUPAC3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCOC1CNc2ccccc2C1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-12-9-6-8-4-2-3-5-10(8)11-7-9;/h2-5,9,11H,6-7H2,1H3;1H
InChIKeyPULJPYFTYQSEGX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.09
Rot. Bonds1

About 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride

3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 155943544) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID155943544
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCOC1CNc2ccccc2C1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-12-9-6-8-4-2-3-5-10(8)11-7-9;/h2-5,9,11H,6-7H2,1H3;1H
InChIKeyPULJPYFTYQSEGX-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 155943544) is 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride is COC1CNc2ccccc2C1.Cl.
What is the InChIKey of 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is PULJPYFTYQSEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-12-9-6-8-4-2-3-5-10(8)11-7-9;/h2-5,9,11H,6-7H2,1H3;1H.
What are the key properties of 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride?
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 155943544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).