17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione

C19H9FN2O2 — CID 102134670

IUPAC17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)ccc3c21
InChIInChI=1S/C19H9FN2O2/c20-9-5-6-11-14(7-9)21-8-12-15(11)19(24)17-16(18(12)23)10-3-1-2-4-13(10)22-17/h1-8,22H
InChIKeySHPUONZUZJOIKZ-UHFFFAOYSA-N
MW316.29 g/mol
LogP3.63
Rot. Bonds

About 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione

17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione (PubChem CID 102134670) has the molecular formula C19H9FN2O2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione.

Molecular Properties

Compound Name17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione
PubChem CID102134670
Molecular FormulaC19H9FN2O2
Molecular Weight316.29 g/mol
Exact Mass316.06
IUPAC Name17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)ccc3c21
InChIInChI=1S/C19H9FN2O2/c20-9-5-6-11-14(7-9)21-8-12-15(11)19(24)17-16(18(12)23)10-3-1-2-4-13(10)22-17/h1-8,22H
InChIKeySHPUONZUZJOIKZ-UHFFFAOYSA-N
XLogP3.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione?
The IUPAC name of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione (CID 102134670) is 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione.
What is the SMILES notation for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione?
The canonical SMILES for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione is O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)ccc3c21.
What is the InChIKey of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione?
The InChIKey is SHPUONZUZJOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9FN2O2/c20-9-5-6-11-14(7-9)21-8-12-15(11)19(24)17-16(18(12)23)10-3-1-2-4-13(10)22-17/h1-8,22H.
What are the key properties of 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione?
17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione has a molecular weight of 316.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),3(11),4,6,8,13,15,17,19-nonaene-2,12-dione is sourced from PubChem (CID 102134670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).