6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride

C18H20ClNO2 — CID 173096127

IUPAC6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)CN(C)C(c1ccccc1)=C2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-19-12-15-11-18(21-3)17(20-2)10-14(15)9-16(19)13-7-5-4-6-8-13;/h4-11H,12H2,1-3H3;1H
InChIKeyQHUFIONCOHFCHL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.07
Rot. Bonds3

About 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride

6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride (PubChem CID 173096127) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride
PubChem CID173096127
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)CN(C)C(c1ccccc1)=C2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-19-12-15-11-18(21-3)17(20-2)10-14(15)9-16(19)13-7-5-4-6-8-13;/h4-11H,12H2,1-3H3;1H
InChIKeyQHUFIONCOHFCHL-UHFFFAOYSA-N
XLogP4.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
CID 12027017
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
2-chloro-5,6-dimethoxy-1-[(4-phenylphenyl)methyl]-1,3-dihydroisoindole
CID 89298283
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12744904
5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
CID 162400005
7,8-dimethoxy-3-methyl-1-phenyl-5H-2,3-benzodiazepine-4-thione
CID 10520190

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride (CID 173096127) is 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride is COc1cc2c(cc1OC)CN(C)C(c1ccccc1)=C2.Cl.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride?
The InChIKey is QHUFIONCOHFCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-19-12-15-11-18(21-3)17(20-2)10-14(15)9-16(19)13-7-5-4-6-8-13;/h4-11H,12H2,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride?
6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 173096127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).