14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

C14H6FN3O2 — CID 505842

IUPAC14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1cnccc1c2=O
InChIInChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
InChIKeyDWTQDKNQANBSGD-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.46
Rot. Bonds

About 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione

14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (PubChem CID 505842) has the molecular formula C14H6FN3O2 and a molecular weight of 267.22 g/mol. Its IUPAC name is 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.

Molecular Properties

Compound Name14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
PubChem CID505842
Molecular FormulaC14H6FN3O2
Molecular Weight267.22 g/mol
Exact Mass267.04
IUPAC Name14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
SMILESO=C1c2cc(F)ccc2-n2c1nc1cnccc1c2=O
InChIInChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
InChIKeyDWTQDKNQANBSGD-UHFFFAOYSA-N
XLogP1.46
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The IUPAC name of 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione (CID 505842) is 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione.
What is the SMILES notation for 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The canonical SMILES for 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is O=C1c2cc(F)ccc2-n2c1nc1cnccc1c2=O.
What is the InChIKey of 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
The InChIKey is DWTQDKNQANBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H.
What are the key properties of 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione?
14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione has a molecular weight of 267.22 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione is sourced from PubChem (CID 505842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).