3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride

C19H20ClNO4 — CID 3029065

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3cn2)cc1OC.Cl
InChIInChI=1S/C19H19NO4.ClH/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15;/h5-11H,1-4H3;1H
InChIKeyCUVSAEASJIXOPN-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.36
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride

3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride (PubChem CID 3029065) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
PubChem CID3029065
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3cn2)cc1OC.Cl
InChIInChI=1S/C19H19NO4.ClH/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15;/h5-11H,1-4H3;1H
InChIKeyCUVSAEASJIXOPN-UHFFFAOYSA-N
XLogP4.36
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride (CID 3029065) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride is COc1ccc(-c2cc3cc(OC)c(OC)cc3cn2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The InChIKey is CUVSAEASJIXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4.ClH/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15;/h5-11H,1-4H3;1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride is sourced from PubChem (CID 3029065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).