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

C21H17FN2O2 — CID 51355203

IUPAC19-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
SMILESCC12CCCC(=O)N1c1ccccc1C(=O)n1c2cc2cc(F)ccc21
InChIInChI=1S/C21H17FN2O2/c1-21-10-4-7-19(25)24(21)17-6-3-2-5-15(17)20(26)23-16-9-8-14(22)11-13(16)12-18(21)23/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3
InChIKeyINCMZWPVRRGIAE-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.21
Rot. Bonds

About 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

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 (PubChem CID 51355203) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-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
PubChem CID51355203
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name19-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
SMILESCC12CCCC(=O)N1c1ccccc1C(=O)n1c2cc2cc(F)ccc21
InChIInChI=1S/C21H17FN2O2/c1-21-10-4-7-19(25)24(21)17-6-3-2-5-15(17)20(26)23-16-9-8-14(22)11-13(16)12-18(21)23/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3
InChIKeyINCMZWPVRRGIAE-UHFFFAOYSA-N
XLogP4.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCCC(=O)N1c1ccccc1C(=O)n1c2cc2cc(F)ccc21.
What is the InChIKey of 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?
The InChIKey is INCMZWPVRRGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-21-10-4-7-19(25)24(21)17-6-3-2-5-15(17)20(26)23-16-9-8-14(22)11-13(16)12-18(21)23/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 348.38 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51355203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).