4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride

C20H22ClNO4 — CID 89481927

IUPAC4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride
SMILESCOc1cc(OC)cc(C(OC)c2cncc3cc(OC)ccc23)c1.Cl
InChIInChI=1S/C20H21NO4.ClH/c1-22-15-5-6-18-14(9-15)11-21-12-19(18)20(25-4)13-7-16(23-2)10-17(8-13)24-3;/h5-12,20H,1-4H3;1H
InChIKeyDSIUHDFRUMCVBM-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.42
Rot. Bonds6

About 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride

4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride (PubChem CID 89481927) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride
PubChem CID89481927
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride
SMILESCOc1cc(OC)cc(C(OC)c2cncc3cc(OC)ccc23)c1.Cl
InChIInChI=1S/C20H21NO4.ClH/c1-22-15-5-6-18-14(9-15)11-21-12-19(18)20(25-4)13-7-16(23-2)10-17(8-13)24-3;/h5-12,20H,1-4H3;1H
InChIKeyDSIUHDFRUMCVBM-UHFFFAOYSA-N
XLogP4.42
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride (CID 89481927) is 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride is COc1cc(OC)cc(C(OC)c2cncc3cc(OC)ccc23)c1.Cl.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride?
The InChIKey is DSIUHDFRUMCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4.ClH/c1-22-15-5-6-18-14(9-15)11-21-12-19(18)20(25-4)13-7-16(23-2)10-17(8-13)24-3;/h5-12,20H,1-4H3;1H.
What are the key properties of 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride?
4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)-methoxymethyl]-7-methoxyisoquinoline;hydrochloride is sourced from PubChem (CID 89481927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).