3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione

C24H16N4O2 — CID 56806824

IUPAC3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione
SMILESCc1cccc2c1N1C(=O)c3ccccc3C1n1nc(-c3ccccc3)c(=O)nc1-2
InChIInChI=1S/C24H16N4O2/c1-14-8-7-13-18-20(14)27-23(16-11-5-6-12-17(16)24(27)30)28-21(18)25-22(29)19(26-28)15-9-3-2-4-10-15/h2-13,23H,1H3
InChIKeyRSPUOZCUUQGYRF-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.80
Rot. Bonds1

About 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione

3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione (PubChem CID 56806824) has the molecular formula C24H16N4O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione.

Molecular Properties

Compound Name3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione
PubChem CID56806824
Molecular FormulaC24H16N4O2
Molecular Weight392.42 g/mol
Exact Mass392.13
IUPAC Name3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione
SMILESCc1cccc2c1N1C(=O)c3ccccc3C1n1nc(-c3ccccc3)c(=O)nc1-2
InChIInChI=1S/C24H16N4O2/c1-14-8-7-13-18-20(14)27-23(16-11-5-6-12-17(16)24(27)30)28-21(18)25-22(29)19(26-28)15-9-3-2-4-10-15/h2-13,23H,1H3
InChIKeyRSPUOZCUUQGYRF-UHFFFAOYSA-N
XLogP3.80
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione?
The IUPAC name of 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione (CID 56806824) is 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione.
What is the SMILES notation for 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione?
The canonical SMILES for 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione is Cc1cccc2c1N1C(=O)c3ccccc3C1n1nc(-c3ccccc3)c(=O)nc1-2.
What is the InChIKey of 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione?
The InChIKey is RSPUOZCUUQGYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2/c1-14-8-7-13-18-20(14)27-23(16-11-5-6-12-17(16)24(27)30)28-21(18)25-22(29)19(26-28)15-9-3-2-4-10-15/h2-13,23H,1H3.
What are the key properties of 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione?
3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione has a molecular weight of 392.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione is sourced from PubChem (CID 56806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).