6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C19H21NO2 — CID 112511948

IUPAC6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)CNC2c1ccccc1
InChIInChI=1S/C19H21NO2/c1-21-16-10-14-15(11-17(16)22-2)19(8-9-19)12-20-18(14)13-6-4-3-5-7-13/h3-7,10-11,18,20H,8-9,12H2,1-2H3
InChIKeyZHIPQDZGAAWYFK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.43
Rot. Bonds3

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

6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 112511948) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID112511948
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1cc2c(cc1OC)C1(CC1)CNC2c1ccccc1
InChIInChI=1S/C19H21NO2/c1-21-16-10-14-15(11-17(16)22-2)19(8-9-19)12-20-18(14)13-6-4-3-5-7-13/h3-7,10-11,18,20H,8-9,12H2,1-2H3
InChIKeyZHIPQDZGAAWYFK-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] with MolForge

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Related Compounds

1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513070
6,7-dimethoxy-1-(2-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 23734961
(1S)-6,7-dimethoxy-1-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 749901
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
CID 112509731
(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene
CID 101346983
3,3-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-1,4-benzodiazepine
CID 142644287
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 112511948) is 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is COc1cc2c(cc1OC)C1(CC1)CNC2c1ccccc1.
What is the InChIKey of 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is ZHIPQDZGAAWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-16-10-14-15(11-17(16)22-2)19(8-9-19)12-20-18(14)13-6-4-3-5-7-13/h3-7,10-11,18,20H,8-9,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 295.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 112511948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).