1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride

C19H20ClNO4 — CID 3029064

IUPAC1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
SMILESCOc1cc2ccnc(-c3cccc(OC)c3OC)c2cc1OC.Cl
InChIInChI=1S/C19H19NO4.ClH/c1-21-15-7-5-6-13(19(15)24-4)18-14-11-17(23-3)16(22-2)10-12(14)8-9-20-18;/h5-11H,1-4H3;1H
InChIKeyXPCSZQZQEPYPAK-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.36
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride

1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride (PubChem CID 3029064) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
PubChem CID3029064
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
SMILESCOc1cc2ccnc(-c3cccc(OC)c3OC)c2cc1OC.Cl
InChIInChI=1S/C19H19NO4.ClH/c1-21-15-7-5-6-13(19(15)24-4)18-14-11-17(23-3)16(22-2)10-12(14)8-9-20-18;/h5-11H,1-4H3;1H
InChIKeyXPCSZQZQEPYPAK-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 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride (CID 3029064) is 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride is COc1cc2ccnc(-c3cccc(OC)c3OC)c2cc1OC.Cl.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
The InChIKey is XPCSZQZQEPYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4.ClH/c1-21-15-7-5-6-13(19(15)24-4)18-14-11-17(23-3)16(22-2)10-12(14)8-9-20-18;/h5-11H,1-4H3;1H.
What are the key properties of 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride?
1-(2,3-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 1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride is sourced from PubChem (CID 3029064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).