2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one

C17H18N2O — CID 90751590

IUPAC2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one
SMILESO=C1CC=CC2C3C=CC=CC3NC3C=CC=CC3N12
InChIInChI=1S/C17H18N2O/c20-17-11-5-10-15-12-6-1-2-7-13(12)18-14-8-3-4-9-16(14)19(15)17/h1-10,12-16,18H,11H2
InChIKeyDPDNCYLEVUGRSA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.72
Rot. Bonds

About 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one

2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one (PubChem CID 90751590) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one.

Molecular Properties

Compound Name2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one
PubChem CID90751590
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one
SMILESO=C1CC=CC2C3C=CC=CC3NC3C=CC=CC3N12
InChIInChI=1S/C17H18N2O/c20-17-11-5-10-15-12-6-1-2-7-13(12)18-14-8-3-4-9-16(14)19(15)17/h1-10,12-16,18H,11H2
InChIKeyDPDNCYLEVUGRSA-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one?
The IUPAC name of 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one (CID 90751590) is 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one.
What is the SMILES notation for 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one?
The canonical SMILES for 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one is O=C1CC=CC2C3C=CC=CC3NC3C=CC=CC3N12.
What is the InChIKey of 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one?
The InChIKey is DPDNCYLEVUGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-11-5-10-15-12-6-1-2-7-13(12)18-14-8-3-4-9-16(14)19(15)17/h1-10,12-16,18H,11H2.
What are the key properties of 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one?
2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one has a molecular weight of 266.34 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-5,9,11,16,18-pentaen-3-one is sourced from PubChem (CID 90751590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).