1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride

C19H22ClNO5 — CID 70630087

IUPAC1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3C=CN2O)cc1OC.Cl
InChIInChI=1S/C19H21NO5.ClH/c1-22-15-6-5-13(10-16(15)23-2)19-14-11-18(25-4)17(24-3)9-12(14)7-8-20(19)21;/h5-11,19,21H,1-4H3;1H
InChIKeyVILQKUKNHFEDKS-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.91
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride

1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride (PubChem CID 70630087) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride
PubChem CID70630087
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3C=CN2O)cc1OC.Cl
InChIInChI=1S/C19H21NO5.ClH/c1-22-15-6-5-13(10-16(15)23-2)19-14-11-18(25-4)17(24-3)9-12(14)7-8-20(19)21;/h5-11,19,21H,1-4H3;1H
InChIKeyVILQKUKNHFEDKS-UHFFFAOYSA-N
XLogP3.91
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
(1R,2S,3S,4R)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102108255
1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
CID 21486964
methyl (1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 7450865
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
(2R,3R,4R,5S)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
CID 933141
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(5R)-1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1372232
1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)-1H-isoquinoline
CID 11373449

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride (CID 70630087) is 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride is COc1ccc(C2c3cc(OC)c(OC)cc3C=CN2O)cc1OC.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride?
The InChIKey is VILQKUKNHFEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5.ClH/c1-22-15-6-5-13(10-16(15)23-2)19-14-11-18(25-4)17(24-3)9-12(14)7-8-20(19)21;/h5-11,19,21H,1-4H3;1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride?
1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 70630087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).