11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione

C15H12FN3O2 — CID 137083653

IUPAC11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione
SMILESCC1(C)Cc2nnc(=O)c3cc(F)cc4c3c2C(N4)C1=O
InChIInChI=1S/C15H12FN3O2/c1-15(2)5-9-11-10-7(14(21)19-18-9)3-6(16)4-8(10)17-12(11)13(15)20/h3-4,12,17H,5H2,1-2H3
InChIKeyGIDMSDCUSZSALU-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.75
Rot. Bonds

About 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione

11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione (PubChem CID 137083653) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione.

Molecular Properties

Compound Name11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione
PubChem CID137083653
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione
SMILESCC1(C)Cc2nnc(=O)c3cc(F)cc4c3c2C(N4)C1=O
InChIInChI=1S/C15H12FN3O2/c1-15(2)5-9-11-10-7(14(21)19-18-9)3-6(16)4-8(10)17-12(11)13(15)20/h3-4,12,17H,5H2,1-2H3
InChIKeyGIDMSDCUSZSALU-UHFFFAOYSA-N
XLogP1.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione?
The IUPAC name of 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione (CID 137083653) is 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione.
What is the SMILES notation for 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione?
The canonical SMILES for 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione is CC1(C)Cc2nnc(=O)c3cc(F)cc4c3c2C(N4)C1=O.
What is the InChIKey of 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione?
The InChIKey is GIDMSDCUSZSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-15(2)5-9-11-10-7(14(21)19-18-9)3-6(16)4-8(10)17-12(11)13(15)20/h3-4,12,17H,5H2,1-2H3.
What are the key properties of 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione?
11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione has a molecular weight of 285.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione is sourced from PubChem (CID 137083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).