ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate

C22H25NO6 — CID 71606930

IUPACethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate
SMILESCCOC(=O)N1CCc2c(OC)c(OC)c(OC)c3c2C1c1cc(OC)ccc1-3
InChIInChI=1S/C22H25NO6/c1-6-29-22(24)23-10-9-14-16-17(20(27-4)21(28-5)19(14)26-3)13-8-7-12(25-2)11-15(13)18(16)23/h7-8,11,18H,6,9-10H2,1-5H3
InChIKeyYPDGVEROFDEWHY-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.81
Rot. Bonds5

About ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate

ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate (PubChem CID 71606930) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate
PubChem CID71606930
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Nameethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate
SMILESCCOC(=O)N1CCc2c(OC)c(OC)c(OC)c3c2C1c1cc(OC)ccc1-3
InChIInChI=1S/C22H25NO6/c1-6-29-22(24)23-10-9-14-16-17(20(27-4)21(28-5)19(14)26-3)13-8-7-12(25-2)11-15(13)18(16)23/h7-8,11,18H,6,9-10H2,1-5H3
InChIKeyYPDGVEROFDEWHY-UHFFFAOYSA-N
XLogP3.81
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 13-fluoro-8-methoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate
CID 102190979
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
ethyl 8-bromo-6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71606022
butyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 143312855
2-O-tert-butyl 1-O-ethyl 6-methoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 118622757
ethyl 1-(2,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15113402
ethyl 1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 21266263
ethyl (1S)-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 122202729
ethyl 6-methoxy-1-morpholin-4-yl-3-phenyl-1H-indene-2-carboxylate
CID 11603303
1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
CID 162914595
1-(2,7-dimethoxy-9H-fluoren-9-yl)pyrrolidine
CID 71339308
ethyl (6S)-6-(4-methoxyphenyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134951963

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate?
The IUPAC name of ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate (CID 71606930) is ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate.
What is the SMILES notation for ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate?
The canonical SMILES for ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate is CCOC(=O)N1CCc2c(OC)c(OC)c(OC)c3c2C1c1cc(OC)ccc1-3.
What is the InChIKey of ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate?
The InChIKey is YPDGVEROFDEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-6-29-22(24)23-10-9-14-16-17(20(27-4)21(28-5)19(14)26-3)13-8-7-12(25-2)11-15(13)18(16)23/h7-8,11,18H,6,9-10H2,1-5H3.
What are the key properties of ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate?
ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate has a molecular weight of 399.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate is sourced from PubChem (CID 71606930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).