ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate

C24H26N2O3 — CID 10271702

IUPACethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1C3
InChIInChI=1S/C24H26N2O3/c1-4-29-24(27)22-14(2)25-20-8-5-15-12-21-18-7-6-17(28-3)11-16(18)9-10-26(21)13-19(15)23(20)22/h5-8,11,21,25H,4,9-10,12-13H2,1-3H3
InChIKeyYNUFWZZFEPKZSH-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.32
Rot. Bonds3

About ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate

ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate (PubChem CID 10271702) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate.

Molecular Properties

Compound Nameethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
PubChem CID10271702
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1C3
InChIInChI=1S/C24H26N2O3/c1-4-29-24(27)22-14(2)25-20-8-5-15-12-21-18-7-6-17(28-3)11-16(18)9-10-26(21)13-19(15)23(20)22/h5-8,11,21,25H,4,9-10,12-13H2,1-3H3
InChIKeyYNUFWZZFEPKZSH-UHFFFAOYSA-N
XLogP4.32
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate?
The IUPAC name of ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate (CID 10271702) is ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate.
What is the SMILES notation for ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate?
The canonical SMILES for ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate is CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1C3.
What is the InChIKey of ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate?
The InChIKey is YNUFWZZFEPKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-29-24(27)22-14(2)25-20-8-5-15-12-21-18-7-6-17(28-3)11-16(18)9-10-26(21)13-19(15)23(20)22/h5-8,11,21,25H,4,9-10,12-13H2,1-3H3.
What are the key properties of ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate?
ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 17-methoxy-6-methyl-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate is sourced from PubChem (CID 10271702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).