5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

C15H9FN2O2 — CID 155762214

IUPAC5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2
InChIInChI=1S/C15H9FN2O2/c1-17-10-5-4-8(16)7-9(10)14(19)12-13(17)11-3-2-6-18(11)15(12)20/h2-7H,1H3
InChIKeyQEGMVOLAZWSIKH-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.15
Rot. Bonds

About 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione

5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (PubChem CID 155762214) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155762214
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2
InChIInChI=1S/C15H9FN2O2/c1-17-10-5-4-8(16)7-9(10)14(19)12-13(17)11-3-2-6-18(11)15(12)20/h2-7H,1H3
InChIKeyQEGMVOLAZWSIKH-UHFFFAOYSA-N
XLogP2.15
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The IUPAC name of 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155762214) is 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione.
What is the SMILES notation for 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The canonical SMILES for 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is Cn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2.
What is the InChIKey of 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
The InChIKey is QEGMVOLAZWSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c1-17-10-5-4-8(16)7-9(10)14(19)12-13(17)11-3-2-6-18(11)15(12)20/h2-7H,1H3.
What are the key properties of 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione?
5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione has a molecular weight of 268.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155762214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).