ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate

C18H25NO5 — CID 110635780

IUPACethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
SMILESCCOC(=O)N1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1
InChIInChI=1S/C18H25NO5/c1-4-24-17(20)19-11-13-9-15(21-2)16(22-3)10-14(13)18(12-19)5-7-23-8-6-18/h9-10H,4-8,11-12H2,1-3H3
InChIKeyCIHFAHJIKILTAE-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.72
Rot. Bonds3

About ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate

ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate (PubChem CID 110635780) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
PubChem CID110635780
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
SMILESCCOC(=O)N1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1
InChIInChI=1S/C18H25NO5/c1-4-24-17(20)19-11-13-9-15(21-2)16(22-3)10-14(13)18(12-19)5-7-23-8-6-18/h9-10H,4-8,11-12H2,1-3H3
InChIKeyCIHFAHJIKILTAE-UHFFFAOYSA-N
XLogP2.72
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)pentan-1-one
CID 110635748
ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate
CID 14595206
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
CID 110635765
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone
CID 1375870
3-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carbonyl)benzonitrile
CID 110635764
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-(oxolan-2-yl)methanone
CID 110428590
N-[3-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-3-oxopropyl]acetamide
CID 110613928
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-3-(furan-2-yl)propan-1-one
CID 110426050
(2S)-1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-piperidin-1-ium-1-ylpropan-1-one
CID 7453280
5-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-carbonyl)-1H-pyridin-2-one
CID 110613933
ethyl 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)acetate
CID 13015775
6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
CID 166176695

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate (CID 110635780) is ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate is CCOC(=O)N1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1.
What is the InChIKey of ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate?
The InChIKey is CIHFAHJIKILTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-24-17(20)19-11-13-9-15(21-2)16(22-3)10-14(13)18(12-19)5-7-23-8-6-18/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate?
ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate is sourced from PubChem (CID 110635780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).