2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline

C24H23NO2 — CID 141294273

IUPAC2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCOC3c4cccc(-c5ccccc5)c43)c2N1
InChIInChI=1S/C24H23NO2/c1-16-13-14-18-9-5-12-21(23(18)25-16)26-15-27-24-20-11-6-10-19(22(20)24)17-7-3-2-4-8-17/h2-12,16,24-25H,13-15H2,1H3
InChIKeySSANGJHXRXOYES-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.56
Rot. Bonds5

About 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline

2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 141294273) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID141294273
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCOC3c4cccc(-c5ccccc5)c43)c2N1
InChIInChI=1S/C24H23NO2/c1-16-13-14-18-9-5-12-21(23(18)25-16)26-15-27-24-20-11-6-10-19(22(20)24)17-7-3-2-4-8-17/h2-12,16,24-25H,13-15H2,1H3
InChIKeySSANGJHXRXOYES-UHFFFAOYSA-N
XLogP5.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline (CID 141294273) is 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline is CC1CCc2cccc(OCOC3c4cccc(-c5ccccc5)c43)c2N1.
What is the InChIKey of 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SSANGJHXRXOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-16-13-14-18-9-5-12-21(23(18)25-16)26-15-27-24-20-11-6-10-19(22(20)24)17-7-3-2-4-8-17/h2-12,16,24-25H,13-15H2,1H3.
What are the key properties of 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline?
2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 357.45 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 141294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).