3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile

C25H16N6O2 — CID 10741379

IUPAC3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile
SMILESN#Cc1c2c(nc3c4c(N5CCOCC5)nc5ccccc5c4nn13)-c1ccccc1C2=O
InChIInChI=1S/C25H16N6O2/c26-13-18-19-21(14-5-1-2-6-15(14)23(19)32)28-25-20-22(29-31(18)25)16-7-3-4-8-17(16)27-24(20)30-9-11-33-12-10-30/h1-8H,9-12H2
InChIKeyGGILJXZAXYHMQX-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.35
Rot. Bonds1

About 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile

3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile (PubChem CID 10741379) has the molecular formula C25H16N6O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile.

Molecular Properties

Compound Name3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile
PubChem CID10741379
Molecular FormulaC25H16N6O2
Molecular Weight432.44 g/mol
Exact Mass432.13
IUPAC Name3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile
SMILESN#Cc1c2c(nc3c4c(N5CCOCC5)nc5ccccc5c4nn13)-c1ccccc1C2=O
InChIInChI=1S/C25H16N6O2/c26-13-18-19-21(14-5-1-2-6-15(14)23(19)32)28-25-20-22(29-31(18)25)16-7-3-4-8-17(16)27-24(20)30-9-11-33-12-10-30/h1-8H,9-12H2
InChIKeyGGILJXZAXYHMQX-UHFFFAOYSA-N
XLogP3.35
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile?
The IUPAC name of 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile (CID 10741379) is 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile.
What is the SMILES notation for 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile?
The canonical SMILES for 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile is N#Cc1c2c(nc3c4c(N5CCOCC5)nc5ccccc5c4nn13)-c1ccccc1C2=O.
What is the InChIKey of 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile?
The InChIKey is GGILJXZAXYHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2/c26-13-18-19-21(14-5-1-2-6-15(14)23(19)32)28-25-20-22(29-31(18)25)16-7-3-4-8-17(16)27-24(20)30-9-11-33-12-10-30/h1-8H,9-12H2.
What are the key properties of 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile?
3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile has a molecular weight of 432.44 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-16-oxo-4,12,13,24-tetrazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5,7,9,11,14,17,19,21,23-undecaene-14-carbonitrile is sourced from PubChem (CID 10741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).