14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one

C14H10N2O — CID 134141779

IUPAC14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one
SMILESO=C1c2ccccc2C2=C3C(=CC=CC13)NN2
InChIInChI=1S/C14H10N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,10,15-16H
InChIKeyOKJVKBNMXBZHNY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.77
Rot. Bonds

About 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one

14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one (PubChem CID 134141779) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one.

Molecular Properties

Compound Name14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one
PubChem CID134141779
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one
SMILESO=C1c2ccccc2C2=C3C(=CC=CC13)NN2
InChIInChI=1S/C14H10N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,10,15-16H
InChIKeyOKJVKBNMXBZHNY-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one?
The IUPAC name of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one (CID 134141779) is 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one.
What is the SMILES notation for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one?
The canonical SMILES for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one is O=C1c2ccccc2C2=C3C(=CC=CC13)NN2.
What is the InChIKey of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one?
The InChIKey is OKJVKBNMXBZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,10,15-16H.
What are the key properties of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one?
14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one has a molecular weight of 222.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,10,12-hexaen-8-one is sourced from PubChem (CID 134141779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).