methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate

C24H30N2O7 — CID 166176852

IUPACmethyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C24H30N2O7/c1-25-22(27)21-16-11-19(29-2)20(30-3)12-17(16)24(7-9-32-10-8-24)14-26(21)13-15-5-6-18(33-15)23(28)31-4/h5-6,11-12,21H,7-10,13-14H2,1-4H3,(H,25,27)
InChIKeyOLQVKLLEYVJYJQ-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.43
Rot. Bonds6

About methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate

methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate (PubChem CID 166176852) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate
PubChem CID166176852
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Namemethyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C24H30N2O7/c1-25-22(27)21-16-11-19(29-2)20(30-3)12-17(16)24(7-9-32-10-8-24)14-26(21)13-15-5-6-18(33-15)23(28)31-4/h5-6,11-12,21H,7-10,13-14H2,1-4H3,(H,25,27)
InChIKeyOLQVKLLEYVJYJQ-UHFFFAOYSA-N
XLogP2.43
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
CID 166176695
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(2,5-dimethylpiperazin-1-yl)methyl]furan-2-carboxylate
CID 64980769
methyl 5-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 9436318
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
CID 5077998
4-[[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]oxane-4-carboxamide
CID 111069170
ethyl 6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carboxylate
CID 110635780
methyl 5-[[4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3909367
methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
CID 102850104
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate (CID 166176852) is methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate is CNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate?
The InChIKey is OLQVKLLEYVJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-25-22(27)21-16-11-19(29-2)20(30-3)12-17(16)24(7-9-32-10-8-24)14-26(21)13-15-5-6-18(33-15)23(28)31-4/h5-6,11-12,21H,7-10,13-14H2,1-4H3,(H,25,27).
What are the key properties of methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate?
methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 166176852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).