1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline

C18H23NO2 — CID 155097253

IUPAC1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline
SMILESC=CC1=NC(CC(=C)OC)C(CCOC)c2ccccc21
InChIInChI=1S/C18H23NO2/c1-5-17-15-9-7-6-8-14(15)16(10-11-20-3)18(19-17)12-13(2)21-4/h5-9,16,18H,1-2,10-12H2,3-4H3
InChIKeyDWBLSTFIBIIADV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds7

About 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline

1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline (PubChem CID 155097253) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline
PubChem CID155097253
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline
SMILESC=CC1=NC(CC(=C)OC)C(CCOC)c2ccccc21
InChIInChI=1S/C18H23NO2/c1-5-17-15-9-7-6-8-14(15)16(10-11-20-3)18(19-17)12-13(2)21-4/h5-9,16,18H,1-2,10-12H2,3-4H3
InChIKeyDWBLSTFIBIIADV-UHFFFAOYSA-N
XLogP3.71
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline (CID 155097253) is 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline is C=CC1=NC(CC(=C)OC)C(CCOC)c2ccccc21.
What is the InChIKey of 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline?
The InChIKey is DWBLSTFIBIIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-17-15-9-7-6-8-14(15)16(10-11-20-3)18(19-17)12-13(2)21-4/h5-9,16,18H,1-2,10-12H2,3-4H3.
What are the key properties of 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline?
1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline has a molecular weight of 285.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methoxyethyl)-3-(2-methoxyprop-2-enyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 155097253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).