4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C23H24N4O3 — CID 155461854

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C23H24N4O3/c1-23(2,3)30-16-7-4-6-15(14-16)20-25-18-17-8-5-9-24-22(17)29-19(18)21(26-20)27-10-12-28-13-11-27/h4-9,14H,10-13H2,1-3H3
InChIKeyWZJZKXJQSUNXQU-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.45
Rot. Bonds3

About 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 155461854) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID155461854
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)(C)Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C23H24N4O3/c1-23(2,3)30-16-7-4-6-15(14-16)20-25-18-17-8-5-9-24-22(17)29-19(18)21(26-20)27-10-12-28-13-11-27/h4-9,14H,10-13H2,1-3H3
InChIKeyWZJZKXJQSUNXQU-UHFFFAOYSA-N
XLogP4.45
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 155461854) is 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC(C)(C)Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is WZJZKXJQSUNXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(2,3)30-16-7-4-6-15(14-16)20-25-18-17-8-5-9-24-22(17)29-19(18)21(26-20)27-10-12-28-13-11-27/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 404.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 155461854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).