2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene

C16H10N2O — CID 57077852

IUPAC2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
SMILESC1=C2C(=Nc3ccccc32)OC=c2cnccc2=C1
InChIInChI=1S/C16H10N2O/c1-2-4-15-13(3-1)14-6-5-11-7-8-17-9-12(11)10-19-16(14)18-15/h1-10H
InChIKeyCEVWBARCMFIVTM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.76
Rot. Bonds

About 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene

2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene (PubChem CID 57077852) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
PubChem CID57077852
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
SMILESC1=C2C(=Nc3ccccc32)OC=c2cnccc2=C1
InChIInChI=1S/C16H10N2O/c1-2-4-15-13(3-1)14-6-5-11-7-8-17-9-12(11)10-19-16(14)18-15/h1-10H
InChIKeyCEVWBARCMFIVTM-UHFFFAOYSA-N
XLogP1.76
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene (CID 57077852) is 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene is C1=C2C(=Nc3ccccc32)OC=c2cnccc2=C1.
What is the InChIKey of 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The InChIKey is CEVWBARCMFIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-2-4-15-13(3-1)14-6-5-11-7-8-17-9-12(11)10-19-16(14)18-15/h1-10H.
What are the key properties of 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene has a molecular weight of 246.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 57077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).