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

C19H15FN2O2 — CID 155762262

IUPAC5-fluoro-9-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCC(C)=CCn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2
InChIInChI=1S/C19H15FN2O2/c1-11(2)7-9-21-14-6-5-12(20)10-13(14)18(23)16-17(21)15-4-3-8-22(15)19(16)24/h3-8,10H,9H2,1-2H3
InChIKeyDWCJJTVMJVVNCR-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.58
Rot. Bonds2

About 5-fluoro-9-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-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 155762262) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-fluoro-9-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
PubChem CID155762262
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name5-fluoro-9-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
SMILESCC(C)=CCn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2
InChIInChI=1S/C19H15FN2O2/c1-11(2)7-9-21-14-6-5-12(20)10-13(14)18(23)16-17(21)15-4-3-8-22(15)19(16)24/h3-8,10H,9H2,1-2H3
InChIKeyDWCJJTVMJVVNCR-UHFFFAOYSA-N
XLogP3.58
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-9-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione (CID 155762262) is 5-fluoro-9-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione is CC(C)=CCn1c2c(c(=O)c3cc(F)ccc31)C(=O)n1cccc1-2.
What is the InChIKey of 5-fluoro-9-(3-methylbut-2-enyl)-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 DWCJJTVMJVVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-11(2)7-9-21-14-6-5-12(20)10-13(14)18(23)16-17(21)15-4-3-8-22(15)19(16)24/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-fluoro-9-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)-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 322.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-9-(3-methylbut-2-enyl)-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 155762262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).