6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride

C18H18ClNO2 — CID 3029075

IUPAC6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
SMILESCOc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H
InChIKeyPJXKHBGSZXSXOY-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.65
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride

6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride (PubChem CID 3029075) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
PubChem CID3029075
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
SMILESCOc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H
InChIKeyPJXKHBGSZXSXOY-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-phenylisoquinoline;dihydrochloride
CID 70514561
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
3-methoxy-2-methyl-5-phenylpyridine
CID 133095590
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
(7-methoxy-4-phenyl-1-pyridin-1-ium-1-ylisoquinolin-6-yl)methanol
CID 122457742
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol
CID 145136250
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
CID 878649
2-methoxy-5-methyl-3-phenylpyridine
CID 46315016
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride (CID 3029075) is 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride is COc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The InChIKey is PJXKHBGSZXSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride is sourced from PubChem (CID 3029075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).