2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione

C20H12N4O2 — CID 130399990

IUPAC2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
SMILESO=C1Nc2nc3ccccc3cc2C(=O)Nc2nc3ccccc3cc21
InChIInChI=1S/C20H12N4O2/c25-19-13-9-11-5-1-3-7-15(11)21-17(13)23-20(26)14-10-12-6-2-4-8-16(12)22-18(14)24-19/h1-10H,(H,21,23,26)(H,22,24,25)
InChIKeyRKVDRYMKFHALGR-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.60
Rot. Bonds

About 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione

2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione (PubChem CID 130399990) has the molecular formula C20H12N4O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione.

Molecular Properties

Compound Name2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
PubChem CID130399990
Molecular FormulaC20H12N4O2
Molecular Weight340.34 g/mol
Exact Mass340.10
IUPAC Name2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
SMILESO=C1Nc2nc3ccccc3cc2C(=O)Nc2nc3ccccc3cc21
InChIInChI=1S/C20H12N4O2/c25-19-13-9-11-5-1-3-7-15(11)21-17(13)23-20(26)14-10-12-6-2-4-8-16(12)22-18(14)24-19/h1-10H,(H,21,23,26)(H,22,24,25)
InChIKeyRKVDRYMKFHALGR-UHFFFAOYSA-N
XLogP3.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione?
The IUPAC name of 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione (CID 130399990) is 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione.
What is the SMILES notation for 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione?
The canonical SMILES for 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione is O=C1Nc2nc3ccccc3cc2C(=O)Nc2nc3ccccc3cc21.
What is the InChIKey of 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione?
The InChIKey is RKVDRYMKFHALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2/c25-19-13-9-11-5-1-3-7-15(11)21-17(13)23-20(26)14-10-12-6-2-4-8-16(12)22-18(14)24-19/h1-10H,(H,21,23,26)(H,22,24,25).
What are the key properties of 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione?
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione has a molecular weight of 340.34 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione is sourced from PubChem (CID 130399990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).