1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane

C23H30N2O3 — CID 142904993

IUPAC1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane
SMILESCC.CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C21H24N2O3.C2H6/c1-6-16-13(2)22-23-21(17-9-8-15(24-3)12-18(16)17)14-7-10-19(25-4)20(11-14)26-5;1-2/h7-12,16H,6H2,1-5H3;1-2H3
InChIKeyFWVBIMZHGFEPMH-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.46
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane

1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane (PubChem CID 142904993) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane
PubChem CID142904993
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane
SMILESCC.CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C21H24N2O3.C2H6/c1-6-16-13(2)22-23-21(17-9-8-15(24-3)12-18(16)17)14-7-10-19(25-4)20(11-14)26-5;1-2/h7-12,16H,6H2,1-5H3;1-2H3
InChIKeyFWVBIMZHGFEPMH-UHFFFAOYSA-N
XLogP5.46
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane 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 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane (CID 142904993) is 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane is CC.CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2ccc(OC)cc21.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane?
The InChIKey is FWVBIMZHGFEPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.C2H6/c1-6-16-13(2)22-23-21(17-9-8-15(24-3)12-18(16)17)14-7-10-19(25-4)20(11-14)26-5;1-2/h7-12,16H,6H2,1-5H3;1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane?
1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane has a molecular weight of 382.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepine;ethane is sourced from PubChem (CID 142904993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).