8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one

C16H14N2O — CID 154330189

IUPAC8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one
SMILESO=C1CN2Cc3ccccc3C2c2ccccc2N1
InChIInChI=1S/C16H14N2O/c19-15-10-18-9-11-5-1-2-6-12(11)16(18)13-7-3-4-8-14(13)17-15/h1-8,16H,9-10H2,(H,17,19)
InChIKeyXTTKCHOEPVXUHJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.54
Rot. Bonds

About 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one

8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one (PubChem CID 154330189) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one.

Molecular Properties

Compound Name8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one
PubChem CID154330189
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one
SMILESO=C1CN2Cc3ccccc3C2c2ccccc2N1
InChIInChI=1S/C16H14N2O/c19-15-10-18-9-11-5-1-2-6-12(11)16(18)13-7-3-4-8-14(13)17-15/h1-8,16H,9-10H2,(H,17,19)
InChIKeyXTTKCHOEPVXUHJ-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one?
The IUPAC name of 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one (CID 154330189) is 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one.
What is the SMILES notation for 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one?
The canonical SMILES for 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one is O=C1CN2Cc3ccccc3C2c2ccccc2N1.
What is the InChIKey of 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one?
The InChIKey is XTTKCHOEPVXUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-10-18-9-11-5-1-2-6-12(11)16(18)13-7-3-4-8-14(13)17-15/h1-8,16H,9-10H2,(H,17,19).
What are the key properties of 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one?
8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one has a molecular weight of 250.30 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-diazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-9-one is sourced from PubChem (CID 154330189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).