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

C20H15FN2O2 — CID 51355763

IUPAC10-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
SMILESCC12CCC(=O)N1c1ccc(F)cc1C(=O)n1c2cc2ccccc21
InChIInChI=1S/C20H15FN2O2/c1-20-9-8-18(24)23(20)16-7-6-13(21)11-14(16)19(25)22-15-5-3-2-4-12(15)10-17(20)22/h2-7,10-11H,8-9H2,1H3
InChIKeyALTKBKMBLHBUOT-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.82
Rot. Bonds

About 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

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 (PubChem CID 51355763) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID51355763
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name10-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
SMILESCC12CCC(=O)N1c1ccc(F)cc1C(=O)n1c2cc2ccccc21
InChIInChI=1S/C20H15FN2O2/c1-20-9-8-18(24)23(20)16-7-6-13(21)11-14(16)19(25)22-15-5-3-2-4-12(15)10-17(20)22/h2-7,10-11H,8-9H2,1H3
InChIKeyALTKBKMBLHBUOT-UHFFFAOYSA-N
XLogP3.82
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCC(=O)N1c1ccc(F)cc1C(=O)n1c2cc2ccccc21.
What is the InChIKey of 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?
The InChIKey is ALTKBKMBLHBUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-20-9-8-18(24)23(20)16-7-6-13(21)11-14(16)19(25)22-15-5-3-2-4-12(15)10-17(20)22/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 334.35 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51355763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).