6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]

C18H27NO3 — CID 112509731

IUPAC6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
SMILESCCCC1NCC2(CCOCC2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C18H27NO3/c1-4-5-15-13-10-16(20-2)17(21-3)11-14(13)18(12-19-15)6-8-22-9-7-18/h10-11,15,19H,4-9,12H2,1-3H3
InChIKeyRRNFBUTXANXRDU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.20
Rot. Bonds4

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

6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] (PubChem CID 112509731) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane].

Molecular Properties

Compound Name6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
PubChem CID112509731
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]
SMILESCCCC1NCC2(CCOCC2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C18H27NO3/c1-4-5-15-13-10-16(20-2)17(21-3)11-14(13)18(12-19-15)6-8-22-9-7-18/h10-11,15,19H,4-9,12H2,1-3H3
InChIKeyRRNFBUTXANXRDU-UHFFFAOYSA-N
XLogP3.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-benzyl-6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513070
(1S)-6,7-dimethoxy-1-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 749901
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
CID 166176695
6,7-dimethoxy-1-(2-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 23734961
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)pentan-1-one
CID 110635748
6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513064
methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate
CID 166176852
ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
CID 110635780
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The IUPAC name of 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] (CID 112509731) is 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane].
What is the SMILES notation for 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The canonical SMILES for 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] is CCCC1NCC2(CCOCC2)c2cc(OC)c(OC)cc21.
What is the InChIKey of 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
The InChIKey is RRNFBUTXANXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-5-15-13-10-16(20-2)17(21-3)11-14(13)18(12-19-15)6-8-22-9-7-18/h10-11,15,19H,4-9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane]?
6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] has a molecular weight of 305.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-propylspiro[2,3-dihydro-1H-isoquinoline-4,4'-oxane] is sourced from PubChem (CID 112509731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).