1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C20H23NO2 — CID 112513070

IUPAC1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)CNC2Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-22-18-11-15-16(12-19(18)23-2)20(8-9-20)13-21-17(15)10-14-6-4-3-5-7-14/h3-7,11-12,17,21H,8-10,13H2,1-2H3
InChIKeyNAXWZBZVGRIOJS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.62
Rot. Bonds4

About 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 112513070) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID112513070
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)CNC2Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-22-18-11-15-16(12-19(18)23-2)20(8-9-20)13-21-17(15)10-14-6-4-3-5-7-14/h3-7,11-12,17,21H,8-10,13H2,1-2H3
InChIKeyNAXWZBZVGRIOJS-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 112513070) is 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is COc1cc2c(cc1OC)C1(CC1)CNC2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is NAXWZBZVGRIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-18-11-15-16(12-19(18)23-2)20(8-9-20)13-21-17(15)10-14-6-4-3-5-7-14/h3-7,11-12,17,21H,8-10,13H2,1-2H3.
What are the key properties of 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 309.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 112513070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).