3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione

C22H18N2O2 — CID 22971523

IUPAC3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
SMILESCc1cccc2[nH]c(=O)c3ccccc3c(=O)[nH]c3cccc(C)c3c12
InChIInChI=1S/C22H18N2O2/c1-13-7-5-11-17-19(13)20-14(2)8-6-12-18(20)24-22(26)16-10-4-3-9-15(16)21(25)23-17/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYJFNZEITQAOFAK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.26
Rot. Bonds

About 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione

3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione (PubChem CID 22971523) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione.

Molecular Properties

Compound Name3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
PubChem CID22971523
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
SMILESCc1cccc2[nH]c(=O)c3ccccc3c(=O)[nH]c3cccc(C)c3c12
InChIInChI=1S/C22H18N2O2/c1-13-7-5-11-17-19(13)20-14(2)8-6-12-18(20)24-22(26)16-10-4-3-9-15(16)21(25)23-17/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYJFNZEITQAOFAK-UHFFFAOYSA-N
XLogP4.26
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione?
The IUPAC name of 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione (CID 22971523) is 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione.
What is the SMILES notation for 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione?
The canonical SMILES for 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione is Cc1cccc2[nH]c(=O)c3ccccc3c(=O)[nH]c3cccc(C)c3c12.
What is the InChIKey of 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione?
The InChIKey is YJFNZEITQAOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-13-7-5-11-17-19(13)20-14(2)8-6-12-18(20)24-22(26)16-10-4-3-9-15(16)21(25)23-17/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione?
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione has a molecular weight of 342.40 g/mol, XLogP of 4.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione is sourced from PubChem (CID 22971523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).