5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C16H18N4O3 — CID 5065277

IUPAC5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(N1CCOCC1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C16H18N4O3/c21-15-12-11-19(16(22)18-7-9-23-10-8-18)6-4-13(12)17-14-3-1-2-5-20(14)15/h1-3,5H,4,6-11H2
InChIKeyCSPDGFSMQRJXSY-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.50
Rot. Bonds

About 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 5065277) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID5065277
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(N1CCOCC1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C16H18N4O3/c21-15-12-11-19(16(22)18-7-9-23-10-8-18)6-4-13(12)17-14-3-1-2-5-20(14)15/h1-3,5H,4,6-11H2
InChIKeyCSPDGFSMQRJXSY-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 5065277) is 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is O=C(N1CCOCC1)N1CCc2nc3ccccn3c(=O)c2C1.
What is the InChIKey of 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is CSPDGFSMQRJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15-12-11-19(16(22)18-7-9-23-10-8-18)6-4-13(12)17-14-3-1-2-5-20(14)15/h1-3,5H,4,6-11H2.
What are the key properties of 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 314.34 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 5065277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).