ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate

C24H26N2O3 — CID 139214163

IUPACethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
SMILESCCOC(=O)C12Cn3c(cc4ccccc43)C1N(C)CC2c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-23(27)24-15-26-20-8-6-5-7-17(20)13-21(26)22(24)25(2)14-19(24)16-9-11-18(28-3)12-10-16/h5-13,19,22H,4,14-15H2,1-3H3
InChIKeyZDFIVBOTALMMPD-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.98
Rot. Bonds4

About ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate

ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate (PubChem CID 139214163) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate.

Molecular Properties

Compound Nameethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
PubChem CID139214163
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
SMILESCCOC(=O)C12Cn3c(cc4ccccc43)C1N(C)CC2c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-23(27)24-15-26-20-8-6-5-7-17(20)13-21(26)22(24)25(2)14-19(24)16-9-11-18(28-3)12-10-16/h5-13,19,22H,4,14-15H2,1-3H3
InChIKeyZDFIVBOTALMMPD-UHFFFAOYSA-N
XLogP3.98
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate with MolForge

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Related Compounds

ethyl (10R,13R)-8,11-dimethyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate
CID 71653857
methyl (13S,14S,17R)-14-(4-methoxyphenyl)-16-methyl-11-oxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene-13-carboxylate
CID 139078567
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CID 11264847
diethyl 1-acetyl-3-(4-methoxyphenyl)pyrrolidine-2,2-dicarboxylate
CID 10021599
ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
tetraethyl 6,12-bis(4-methoxyphenyl)-3,9-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5,7,11-tetracarboxylate
CID 73212305
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
ethyl 9-hydroxy-6,9-dihydropyrido[1,2-a]indole-8-carboxylate
CID 162407205
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The IUPAC name of ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate (CID 139214163) is ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate.
What is the SMILES notation for ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The canonical SMILES for ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate is CCOC(=O)C12Cn3c(cc4ccccc43)C1N(C)CC2c1ccc(OC)cc1.
What is the InChIKey of ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
The InChIKey is ZDFIVBOTALMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-29-23(27)24-15-26-20-8-6-5-7-17(20)13-21(26)22(24)25(2)14-19(24)16-9-11-18(28-3)12-10-16/h5-13,19,22H,4,14-15H2,1-3H3.
What are the key properties of ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate?
ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 13-(4-methoxyphenyl)-11-methyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate is sourced from PubChem (CID 139214163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).