6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine

C20H17N3O — CID 135626411

IUPAC6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCCOc1cccc(C2=Nc3cccnc3Nc3ccccc32)c1
InChIInChI=1S/C20H17N3O/c1-2-24-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)23-20-18(22-19)11-6-12-21-20/h3-13H,2H2,1H3,(H,21,23)
InChIKeyHZAXAHAVLDXFGT-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.71
Rot. Bonds3

About 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine

6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 135626411) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID135626411
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCCOc1cccc(C2=Nc3cccnc3Nc3ccccc32)c1
InChIInChI=1S/C20H17N3O/c1-2-24-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)23-20-18(22-19)11-6-12-21-20/h3-13H,2H2,1H3,(H,21,23)
InChIKeyHZAXAHAVLDXFGT-UHFFFAOYSA-N
XLogP4.71
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine 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 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 135626411) is 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine is CCOc1cccc(C2=Nc3cccnc3Nc3ccccc32)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is HZAXAHAVLDXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-24-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)23-20-18(22-19)11-6-12-21-20/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 315.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 135626411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).