11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C22H17FN2O3 — CID 3774324

IUPAC11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCC(=O)C1C2C(=O)N(c3ccc(F)cc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C22H17FN2O3/c1-12(26)19-17-18(20-16-5-3-2-4-13(16)10-11-24(19)20)22(28)25(21(17)27)15-8-6-14(23)7-9-15/h2-11,17-20H,1H3
InChIKeyBTPZSMSANXHFEL-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.93
Rot. Bonds2

About 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 3774324) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID3774324
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCC(=O)C1C2C(=O)N(c3ccc(F)cc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C22H17FN2O3/c1-12(26)19-17-18(20-16-5-3-2-4-13(16)10-11-24(19)20)22(28)25(21(17)27)15-8-6-14(23)7-9-15/h2-11,17-20H,1H3
InChIKeyBTPZSMSANXHFEL-UHFFFAOYSA-N
XLogP2.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 3774324) is 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is CC(=O)C1C2C(=O)N(c3ccc(F)cc3)C(=O)C2C2c3ccccc3C=CN12.
What is the InChIKey of 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is BTPZSMSANXHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-12(26)19-17-18(20-16-5-3-2-4-13(16)10-11-24(19)20)22(28)25(21(17)27)15-8-6-14(23)7-9-15/h2-11,17-20H,1H3.
What are the key properties of 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 376.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyl-14-(4-fluorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 3774324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).