4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one

C29H32N4O3 — CID 59558489

IUPAC4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
SMILESO=C1NC2(CCC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(OCCN4CCOCC4)cc2)cc1-3
InChIInChI=1S/C29H32N4O3/c34-28-26-22-7-4-20-18-30-24(16-23(20)27(22)31-25(26)17-29(32-28)8-1-9-29)19-2-5-21(6-3-19)36-15-12-33-10-13-35-14-11-33/h2-3,5-6,16,18,31H,1,4,7-15,17H2,(H,32,34)
InChIKeyUDHKHDUBXCNDOW-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.76
Rot. Bonds5

About 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one

4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one (PubChem CID 59558489) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
PubChem CID59558489
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one
SMILESO=C1NC2(CCC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(OCCN4CCOCC4)cc2)cc1-3
InChIInChI=1S/C29H32N4O3/c34-28-26-22-7-4-20-18-30-24(16-23(20)27(22)31-25(26)17-29(32-28)8-1-9-29)19-2-5-21(6-3-19)36-15-12-33-10-13-35-14-11-33/h2-3,5-6,16,18,31H,1,4,7-15,17H2,(H,32,34)
InChIKeyUDHKHDUBXCNDOW-UHFFFAOYSA-N
XLogP3.76
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one (CID 59558489) is 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one is O=C1NC2(CCC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(OCCN4CCOCC4)cc2)cc1-3.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
The InChIKey is UDHKHDUBXCNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-28-26-22-7-4-20-18-30-24(16-23(20)27(22)31-25(26)17-29(32-28)8-1-9-29)19-2-5-21(6-3-19)36-15-12-33-10-13-35-14-11-33/h2-3,5-6,16,18,31H,1,4,7-15,17H2,(H,32,34).
What are the key properties of 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one?
4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one has a molecular weight of 484.60 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclobutane]-12-one is sourced from PubChem (CID 59558489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).