5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one

C22H22N4O3 — CID 23448039

IUPAC5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
SMILESCOc1ccc2c3c(c(NCCN4CCOCC4)nc2c1)C(=O)c1cnccc1-3
InChIInChI=1S/C22H22N4O3/c1-28-14-2-3-16-18(12-14)25-22(24-6-7-26-8-10-29-11-9-26)20-19(16)15-4-5-23-13-17(15)21(20)27/h2-5,12-13H,6-11H2,1H3,(H,24,25)
InChIKeyXZDPSUDNCIEEIW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.59
Rot. Bonds5

About 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one

5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one (PubChem CID 23448039) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one.

Molecular Properties

Compound Name5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
PubChem CID23448039
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
SMILESCOc1ccc2c3c(c(NCCN4CCOCC4)nc2c1)C(=O)c1cnccc1-3
InChIInChI=1S/C22H22N4O3/c1-28-14-2-3-16-18(12-14)25-22(24-6-7-26-8-10-29-11-9-26)20-19(16)15-4-5-23-13-17(15)21(20)27/h2-5,12-13H,6-11H2,1H3,(H,24,25)
InChIKeyXZDPSUDNCIEEIW-UHFFFAOYSA-N
XLogP2.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The IUPAC name of 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one (CID 23448039) is 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one.
What is the SMILES notation for 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The canonical SMILES for 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one is COc1ccc2c3c(c(NCCN4CCOCC4)nc2c1)C(=O)c1cnccc1-3.
What is the InChIKey of 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
The InChIKey is XZDPSUDNCIEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-14-2-3-16-18(12-14)25-22(24-6-7-26-8-10-29-11-9-26)20-19(16)15-4-5-23-13-17(15)21(20)27/h2-5,12-13H,6-11H2,1H3,(H,24,25).
What are the key properties of 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one?
5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one has a molecular weight of 390.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one is sourced from PubChem (CID 23448039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).