14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene

C13H10N2O — CID 5325766

IUPAC14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene
SMILESc1ccc2c(c1)nc1c3c(onc32)CCC1
InChIInChI=1S/C13H10N2O/c1-2-5-9-8(4-1)13-12-10(14-9)6-3-7-11(12)16-15-13/h1-2,4-5H,3,6-7H2
InChIKeyRDKHIOIQMIVKIR-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.86
Rot. Bonds

About 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene

14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene (PubChem CID 5325766) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene.

Molecular Properties

Compound Name14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene
PubChem CID5325766
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene
SMILESc1ccc2c(c1)nc1c3c(onc32)CCC1
InChIInChI=1S/C13H10N2O/c1-2-5-9-8(4-1)13-12-10(14-9)6-3-7-11(12)16-15-13/h1-2,4-5H,3,6-7H2
InChIKeyRDKHIOIQMIVKIR-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene?
The IUPAC name of 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene (CID 5325766) is 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene.
What is the SMILES notation for 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene?
The canonical SMILES for 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene is c1ccc2c(c1)nc1c3c(onc32)CCC1.
What is the InChIKey of 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene?
The InChIKey is RDKHIOIQMIVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-2-5-9-8(4-1)13-12-10(14-9)6-3-7-11(12)16-15-13/h1-2,4-5H,3,6-7H2.
What are the key properties of 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene?
14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene has a molecular weight of 210.24 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-8,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,13(16)-hexaene is sourced from PubChem (CID 5325766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).