16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione

C25H30N6O3 — CID 163896214

IUPAC16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2ccc(c2)-c2cccc1n2
InChIInChI=1S/C25H30N6O3/c32-24-21-7-5-6-20(27-21)18-8-13-30(16-18)12-4-2-1-3-11-26-25(33)23-22(28-24)17-31(29-23)19-9-14-34-15-10-19/h5-8,13,16-17,19H,1-4,9-12,14-15H2,(H,26,33)(H,28,32)
InChIKeyQFVLIPVOWSJFPF-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.65
Rot. Bonds1

About 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione

16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione (PubChem CID 163896214) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione.

Molecular Properties

Compound Name16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
PubChem CID163896214
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
SMILESO=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2ccc(c2)-c2cccc1n2
InChIInChI=1S/C25H30N6O3/c32-24-21-7-5-6-20(27-21)18-8-13-30(16-18)12-4-2-1-3-11-26-25(33)23-22(28-24)17-31(29-23)19-9-14-34-15-10-19/h5-8,13,16-17,19H,1-4,9-12,14-15H2,(H,26,33)(H,28,32)
InChIKeyQFVLIPVOWSJFPF-UHFFFAOYSA-N
XLogP3.65
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The IUPAC name of 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione (CID 163896214) is 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione.
What is the SMILES notation for 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The canonical SMILES for 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione is O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2ccc(c2)-c2cccc1n2.
What is the InChIKey of 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The InChIKey is QFVLIPVOWSJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c32-24-21-7-5-6-20(27-21)18-8-13-30(16-18)12-4-2-1-3-11-26-25(33)23-22(28-24)17-31(29-23)19-9-14-34-15-10-19/h5-8,13,16-17,19H,1-4,9-12,14-15H2,(H,26,33)(H,28,32).
What are the key properties of 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione has a molecular weight of 462.55 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(oxan-4-yl)-5,12,15,16,19,25-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione is sourced from PubChem (CID 163896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).