6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C18H23ClN2O2 — CID 126478508

IUPAC6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1cccnc1)NCC2.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-21-16-10-13-7-9-20-18(14-6-5-8-19-12-14)15(13)11-17(16)22-4-2;/h5-6,8,10-12,18,20H,3-4,7,9H2,1-2H3;1H
InChIKeyIFOMZQKLZAWFOJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.54
Rot. Bonds5

About 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 126478508) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID126478508
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCC)C(c1cccnc1)NCC2.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-21-16-10-13-7-9-20-18(14-6-5-8-19-12-14)15(13)11-17(16)22-4-2;/h5-6,8,10-12,18,20H,3-4,7,9H2,1-2H3;1H
InChIKeyIFOMZQKLZAWFOJ-UHFFFAOYSA-N
XLogP3.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 126478508) is 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CCOc1cc2c(cc1OCC)C(c1cccnc1)NCC2.Cl.
What is the InChIKey of 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is IFOMZQKLZAWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-21-16-10-13-7-9-20-18(14-6-5-8-19-12-14)15(13)11-17(16)22-4-2;/h5-6,8,10-12,18,20H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 126478508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).