(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene

C23H26N2O2 — CID 15955924

IUPAC(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene
SMILESCOC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCc1ccc2o1
InChIInChI=1S/C23H26N2O2/c1-26-23-16-21-22-14-13-19(27-22)10-8-6-4-2-3-5-7-9-17-11-12-18(24-17)15-20(23)25-21/h2,4,11-16,24H,3,5-10H2,1H3/b4-2+,20-15+
InChIKeyHJMNUBVHAOYKGT-TXKIYPADSA-N
MW362.47 g/mol
LogP5.59
Rot. Bonds1

About (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene

(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene (PubChem CID 15955924) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene.

Molecular Properties

Compound Name(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene
PubChem CID15955924
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene
SMILESCOC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCc1ccc2o1
InChIInChI=1S/C23H26N2O2/c1-26-23-16-21-22-14-13-19(27-22)10-8-6-4-2-3-5-7-9-17-11-12-18(24-17)15-20(23)25-21/h2,4,11-16,24H,3,5-10H2,1H3/b4-2+,20-15+
InChIKeyHJMNUBVHAOYKGT-TXKIYPADSA-N
XLogP5.59
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene?
The IUPAC name of (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene (CID 15955924) is (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene.
What is the SMILES notation for (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene?
The canonical SMILES for (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene is COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCc1ccc2o1.
What is the InChIKey of (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene?
The InChIKey is HJMNUBVHAOYKGT-TXKIYPADSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-23-16-21-22-14-13-19(27-22)10-8-6-4-2-3-5-7-9-17-11-12-18(24-17)15-20(23)25-21/h2,4,11-16,24H,3,5-10H2,1H3/b4-2+,20-15+.
What are the key properties of (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene?
(5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene has a molecular weight of 362.47 g/mol, XLogP of 5.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,15E)-4-methoxy-23-oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-1(22),2(25),3,5,7,9,15,20-octaene is sourced from PubChem (CID 15955924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).