5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one

C14H10N2O2 — CID 14570070

IUPAC5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one
SMILESO=C1OCCc2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C14H10N2O2/c17-14-13-9(5-6-18-14)12-8-3-1-2-4-10(8)16-11(12)7-15-13/h1-4,7,16H,5-6H2
InChIKeyWNGRBUQQKADUJQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.43
Rot. Bonds

About 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one

5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one (PubChem CID 14570070) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one.

Molecular Properties

Compound Name5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one
PubChem CID14570070
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one
SMILESO=C1OCCc2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C14H10N2O2/c17-14-13-9(5-6-18-14)12-8-3-1-2-4-10(8)16-11(12)7-15-13/h1-4,7,16H,5-6H2
InChIKeyWNGRBUQQKADUJQ-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one?
The IUPAC name of 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one (CID 14570070) is 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one.
What is the SMILES notation for 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one?
The canonical SMILES for 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one is O=C1OCCc2c1ncc1[nH]c3ccccc3c21.
What is the InChIKey of 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one?
The InChIKey is WNGRBUQQKADUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-13-9(5-6-18-14)12-8-3-1-2-4-10(8)16-11(12)7-15-13/h1-4,7,16H,5-6H2.
What are the key properties of 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one?
5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one has a molecular weight of 238.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-8,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-6-one is sourced from PubChem (CID 14570070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).