6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline

C16H23NO2 — CID 720207

IUPAC6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2
InChIInChI=1S/C16H23NO2/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15/h7-8,10H,9H2,1-6H3
InChIKeyRETZWKAIXPOBFZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.48
Rot. Bonds3

About 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline

6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline (PubChem CID 720207) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline
PubChem CID720207
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2
InChIInChI=1S/C16H23NO2/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15/h7-8,10H,9H2,1-6H3
InChIKeyRETZWKAIXPOBFZ-UHFFFAOYSA-N
XLogP3.48
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.48
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-propan-2-yl-4H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline (CID 720207) is 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline is COc1cc2c(cc1OC)C(C(C)C)=NC(C)(C)C2.
What is the InChIKey of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline?
The InChIKey is RETZWKAIXPOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15/h7-8,10H,9H2,1-6H3.
What are the key properties of 6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline?
6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline has a molecular weight of 261.37 g/mol, XLogP of 3.48, 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-propan-2-yl-4H-isoquinoline is sourced from PubChem (CID 720207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).