7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline

C16H23NO2 — CID 11747386

IUPAC7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline
SMILESCCCCCOc1cc2c(cc1OC)C(C)=NCC2
InChIInChI=1S/C16H23NO2/c1-4-5-6-9-19-16-10-13-7-8-17-12(2)14(13)11-15(16)18-3/h10-11H,4-9H2,1-3H3
InChIKeyKZXZUUGYZBRLBG-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.63
Rot. Bonds6

About 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline

7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline (PubChem CID 11747386) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline
PubChem CID11747386
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline
SMILESCCCCCOc1cc2c(cc1OC)C(C)=NCC2
InChIInChI=1S/C16H23NO2/c1-4-5-6-9-19-16-10-13-7-8-17-12(2)14(13)11-15(16)18-3/h10-11H,4-9H2,1-3H3
InChIKeyKZXZUUGYZBRLBG-UHFFFAOYSA-N
XLogP3.63
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline?
The IUPAC name of 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline (CID 11747386) is 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline is CCCCCOc1cc2c(cc1OC)C(C)=NCC2.
What is the InChIKey of 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline?
The InChIKey is KZXZUUGYZBRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-5-6-9-19-16-10-13-7-8-17-12(2)14(13)11-15(16)18-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline?
7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline has a molecular weight of 261.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 11747386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).