6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline

C19H21NO2 — CID 748267

IUPAC6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C19H21NO2/c1-19(2)12-14-10-16(21-3)17(22-4)11-15(14)18(20-19)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKeyQUMZJYWZNLLZMT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.88
Rot. Bonds3

About 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline

6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline (PubChem CID 748267) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline
PubChem CID748267
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C19H21NO2/c1-19(2)12-14-10-16(21-3)17(22-4)11-15(14)18(20-19)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKeyQUMZJYWZNLLZMT-UHFFFAOYSA-N
XLogP3.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline (CID 748267) is 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccc1)=NC(C)(C)C2.
What is the InChIKey of 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline?
The InChIKey is QUMZJYWZNLLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)12-14-10-16(21-3)17(22-4)11-15(14)18(20-19)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline?
6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline has a molecular weight of 295.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline is sourced from PubChem (CID 748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).