6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene

C14H16N2O — CID 22735883

IUPAC6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene
SMILESc1cc2c3c(c1)c1c(n3CCCO2)CCNC1
InChIInChI=1S/C14H16N2O/c1-3-10-11-9-15-6-5-12(11)16-7-2-8-17-13(4-1)14(10)16/h1,3-4,15H,2,5-9H2
InChIKeyZNWAXISMXVPADQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.07
Rot. Bonds

About 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene

6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene (PubChem CID 22735883) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene.

Molecular Properties

Compound Name6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene
PubChem CID22735883
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene
SMILESc1cc2c3c(c1)c1c(n3CCCO2)CCNC1
InChIInChI=1S/C14H16N2O/c1-3-10-11-9-15-6-5-12(11)16-7-2-8-17-13(4-1)14(10)16/h1,3-4,15H,2,5-9H2
InChIKeyZNWAXISMXVPADQ-UHFFFAOYSA-N
XLogP2.07
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene?
The IUPAC name of 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene (CID 22735883) is 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene.
What is the SMILES notation for 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene?
The canonical SMILES for 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene is c1cc2c3c(c1)c1c(n3CCCO2)CCNC1.
What is the InChIKey of 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene?
The InChIKey is ZNWAXISMXVPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-10-11-9-15-6-5-12(11)16-7-2-8-17-13(4-1)14(10)16/h1,3-4,15H,2,5-9H2.
What are the key properties of 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene?
6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene has a molecular weight of 228.29 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11(16)-tetraene is sourced from PubChem (CID 22735883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).