2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione

C22H14N2O2 — CID 170859547

IUPAC2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
SMILESO=C1Nc2ccc3ccccc3c2C(=O)Nc2ccc3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-21-19-15-7-3-1-5-13(15)9-11-17(19)23-22(26)20-16-8-4-2-6-14(16)10-12-18(20)24-21/h1-12H,(H,23,26)(H,24,25)
InChIKeyOJVLPDMEHQXMIY-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.81
Rot. Bonds

About 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione

2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione (PubChem CID 170859547) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione.

Molecular Properties

Compound Name2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
PubChem CID170859547
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
SMILESO=C1Nc2ccc3ccccc3c2C(=O)Nc2ccc3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-21-19-15-7-3-1-5-13(15)9-11-17(19)23-22(26)20-16-8-4-2-6-14(16)10-12-18(20)24-21/h1-12H,(H,23,26)(H,24,25)
InChIKeyOJVLPDMEHQXMIY-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione?
The IUPAC name of 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione (CID 170859547) is 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione.
What is the SMILES notation for 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione?
The canonical SMILES for 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione is O=C1Nc2ccc3ccccc3c2C(=O)Nc2ccc3ccccc3c21.
What is the InChIKey of 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione?
The InChIKey is OJVLPDMEHQXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-21-19-15-7-3-1-5-13(15)9-11-17(19)23-22(26)20-16-8-4-2-6-14(16)10-12-18(20)24-21/h1-12H,(H,23,26)(H,24,25).
What are the key properties of 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione?
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione has a molecular weight of 338.37 g/mol, XLogP of 4.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione is sourced from PubChem (CID 170859547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).