15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene

C18H18N2O4 — CID 101089451

IUPAC15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene
SMILESc1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCO1
InChIInChI=1S/C18H18N2O4/c1-3-13-15(19-5-1)16-14(4-2-6-20-16)18-17(13)23-11-9-21-7-8-22-10-12-24-18/h1-6H,7-12H2
InChIKeyBUCOIUXPAGXCEQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.59
Rot. Bonds

About 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene

15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene (PubChem CID 101089451) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene.

Molecular Properties

Compound Name15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene
PubChem CID101089451
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene
SMILESc1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCO1
InChIInChI=1S/C18H18N2O4/c1-3-13-15(19-5-1)16-14(4-2-6-20-16)18-17(13)23-11-9-21-7-8-22-10-12-24-18/h1-6H,7-12H2
InChIKeyBUCOIUXPAGXCEQ-UHFFFAOYSA-N
XLogP2.59
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene?
The IUPAC name of 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene (CID 101089451) is 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene.
What is the SMILES notation for 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene?
The canonical SMILES for 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene is c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCO1.
What is the InChIKey of 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene?
The InChIKey is BUCOIUXPAGXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-13-15(19-5-1)16-14(4-2-6-20-16)18-17(13)23-11-9-21-7-8-22-10-12-24-18/h1-6H,7-12H2.
What are the key properties of 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene?
15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene has a molecular weight of 326.35 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,18,21,24-tetraoxa-6,9-diazatetracyclo[12.10.0.02,7.08,13]tetracosa-1(14),2(7),3,5,8(13),9,11-heptaene is sourced from PubChem (CID 101089451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).