2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

C16H9FN2O4 — CID 58151062

IUPAC2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESCN1C(=O)c2ccc3c4c(c(F)cc(c24)C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C16H9FN2O4/c1-18-13(20)6-3-4-7-11-10(6)8(15(18)22)5-9(17)12(11)16(23)19(2)14(7)21/h3-5H,1-2H3
InChIKeyYOHRFHXYDIQFKD-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.43
Rot. Bonds

About 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (PubChem CID 58151062) has the molecular formula C16H9FN2O4 and a molecular weight of 312.26 g/mol. Its IUPAC name is 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
PubChem CID58151062
Molecular FormulaC16H9FN2O4
Molecular Weight312.26 g/mol
Exact Mass312.05
IUPAC Name2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESCN1C(=O)c2ccc3c4c(c(F)cc(c24)C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C16H9FN2O4/c1-18-13(20)6-3-4-7-11-10(6)8(15(18)22)5-9(17)12(11)16(23)19(2)14(7)21/h3-5H,1-2H3
InChIKeyYOHRFHXYDIQFKD-UHFFFAOYSA-N
XLogP1.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (CID 58151062) is 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is CN1C(=O)c2ccc3c4c(c(F)cc(c24)C1=O)C(=O)N(C)C3=O.
What is the InChIKey of 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The InChIKey is YOHRFHXYDIQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O4/c1-18-13(20)6-3-4-7-11-10(6)8(15(18)22)5-9(17)12(11)16(23)19(2)14(7)21/h3-5H,1-2H3.
What are the key properties of 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone has a molecular weight of 312.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 58151062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).