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

C22H20N2O2 — CID 51354627

IUPAC2,19-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
SMILESCc1ccc2c(c1)cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C
InChIInChI=1S/C22H20N2O2/c1-14-9-10-17-15(12-14)13-19-22(2)11-5-8-20(25)24(22)18-7-4-3-6-16(18)21(26)23(17)19/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3
InChIKeyXOJLDOGGKCXNDQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.38
Rot. Bonds

About 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

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 (PubChem CID 51354627) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,19-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
PubChem CID51354627
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,19-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
SMILESCc1ccc2c(c1)cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C
InChIInChI=1S/C22H20N2O2/c1-14-9-10-17-15(12-14)13-19-22(2)11-5-8-20(25)24(22)18-7-4-3-6-16(18)21(26)23(17)19/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3
InChIKeyXOJLDOGGKCXNDQ-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 2,19-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 with MolForge

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Related Compounds

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
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
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-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 55584564
4-anilino-3a,7-dimethyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387739
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
3a,7-dimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]quinazoline-1,5-dione
CID 53309958
3-[2-(2-bromophenyl)-5-methylindol-1-yl]-5,5-dimethylcyclohex-2-en-1-one
CID 164671341
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55578058
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-ethylindol-5-yl)acetamide
CID 49493676
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 55606279
4-(3-chloroanilino)-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 57387741

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)cc1n2C(=O)c2ccccc2N2C(=O)CCCC12C.
What is the InChIKey of 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?
The InChIKey is XOJLDOGGKCXNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-9-10-17-15(12-14)13-19-22(2)11-5-8-20(25)24(22)18-7-4-3-6-16(18)21(26)23(17)19/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3.
What are the key properties of 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?
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 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 2,19-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 is sourced from PubChem (CID 51354627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).