4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one

C25H24N4O3 — CID 25065992

IUPAC4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
SMILESO=C1NCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
InChIKeyTUZYUHMHEXTLNB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.34
Rot. Bonds5

About 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one

4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one (PubChem CID 25065992) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one.

Molecular Properties

Compound Name4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
PubChem CID25065992
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
SMILESO=C1NCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc43)c21
InChIInChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
InChIKeyTUZYUHMHEXTLNB-UHFFFAOYSA-N
XLogP3.34
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one 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 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The IUPAC name of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one (CID 25065992) is 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one.
What is the SMILES notation for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The canonical SMILES for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one is O=C1NCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc43)c21.
What is the InChIKey of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
The InChIKey is TUZYUHMHEXTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30).
What are the key properties of 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one?
4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one has a molecular weight of 428.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-morpholin-4-ylethoxy)phenyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one is sourced from PubChem (CID 25065992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).