2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione

C22H20N2O2 — CID 51354622

IUPAC2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione
SMILESCc1cccc2c1cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C
InChIInChI=1S/C22H20N2O2/c1-14-7-5-10-17-16(14)13-19-22(2)12-6-11-20(25)24(22)18-9-4-3-8-15(18)21(26)23(17)19/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyZTCAYWOYMRKZOJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.38
Rot. Bonds

About 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione

2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione (PubChem CID 51354622) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione.

Molecular Properties

Compound Name2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione
PubChem CID51354622
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione
SMILESCc1cccc2c1cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C
InChIInChI=1S/C22H20N2O2/c1-14-7-5-10-17-16(14)13-19-22(2)12-6-11-20(25)24(22)18-9-4-3-8-15(18)21(26)23(17)19/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyZTCAYWOYMRKZOJ-UHFFFAOYSA-N
XLogP4.38
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione with MolForge

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

Launch Full Analysis

Related Compounds

2,19-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51354627
19-fluoro-2-methyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51355203
10-fluoro-2-methyl-6,14-diazapentacyclo[12.7.0.02,6.07,12.015,20]henicosa-1(21),7(12),8,10,15,17,19-heptaene-5,13-dione
CID 51355763
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 55584564
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 55605838
4-(3-chloroanilino)-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387741
4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
CID 118972459
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
CID 158538200
methyl 5-[[2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 39103573

Frequently Asked Questions

What is the IUPAC name of 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione?
The IUPAC name of 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione (CID 51354622) is 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione.
What is the SMILES notation for 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione?
The canonical SMILES for 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione is Cc1cccc2c1cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C.
What is the InChIKey of 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione?
The InChIKey is ZTCAYWOYMRKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-7-5-10-17-16(14)13-19-22(2)12-6-11-20(25)24(22)18-9-4-3-8-15(18)21(26)23(17)19/h3-5,7-10,13H,6,11-12H2,1-2H3.
What are the key properties of 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione?
2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione has a molecular weight of 344.41 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,20-dimethyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-6,14-dione is sourced from PubChem (CID 51354622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).