11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene

C13H8N2O — CID 155429762

IUPAC11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene
SMILESc1ccc2c(c1)ccc1oc3cn[nH]c3c12
InChIInChI=1S/C13H8N2O/c1-2-4-9-8(3-1)5-6-10-12(9)13-11(16-10)7-14-15-13/h1-7H,(H,14,15)
InChIKeyPEAJLUYJULIDIU-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.46
Rot. Bonds

About 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene

11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene (PubChem CID 155429762) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene.

Molecular Properties

Compound Name11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene
PubChem CID155429762
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene
SMILESc1ccc2c(c1)ccc1oc3cn[nH]c3c12
InChIInChI=1S/C13H8N2O/c1-2-4-9-8(3-1)5-6-10-12(9)13-11(16-10)7-14-15-13/h1-7H,(H,14,15)
InChIKeyPEAJLUYJULIDIU-UHFFFAOYSA-N
XLogP3.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene with MolForge

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Related Compounds

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CID 178088617
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CID 176729847
9-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166918306
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CID 12588753
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CID 118131021
4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 58461828
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12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;tungsten
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Frequently Asked Questions

What is the IUPAC name of 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene?
The IUPAC name of 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene (CID 155429762) is 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene.
What is the SMILES notation for 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene?
The canonical SMILES for 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene is c1ccc2c(c1)ccc1oc3cn[nH]c3c12.
What is the InChIKey of 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene?
The InChIKey is PEAJLUYJULIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c1-2-4-9-8(3-1)5-6-10-12(9)13-11(16-10)7-14-15-13/h1-7H,(H,14,15).
What are the key properties of 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene?
11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene has a molecular weight of 208.22 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-14,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene is sourced from PubChem (CID 155429762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).