11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C15H18N6O2 — CID 17190814

IUPAC11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1CCCN1CCOCC1
InChIInChI=1S/C15H18N6O2/c22-14-12-10-16-15-17-11-18-21(15)13(12)2-5-20(14)4-1-3-19-6-8-23-9-7-19/h2,5,10-11H,1,3-4,6-9H2
InChIKeyHCVLAFGLUYJWFL-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.16
Rot. Bonds4

About 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 17190814) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID17190814
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1CCCN1CCOCC1
InChIInChI=1S/C15H18N6O2/c22-14-12-10-16-15-17-11-18-21(15)13(12)2-5-20(14)4-1-3-19-6-8-23-9-7-19/h2,5,10-11H,1,3-4,6-9H2
InChIKeyHCVLAFGLUYJWFL-UHFFFAOYSA-N
XLogP0.16
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 17190814) is 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3ncnn3c2ccn1CCCN1CCOCC1.
What is the InChIKey of 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is HCVLAFGLUYJWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-12-10-16-15-17-11-18-21(15)13(12)2-5-20(14)4-1-3-19-6-8-23-9-7-19/h2,5,10-11H,1,3-4,6-9H2.
What are the key properties of 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 314.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-morpholin-4-ylpropyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 17190814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).