7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione

C18H6F2N2O2 — CID 58013046

IUPAC7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione
SMILESO=c1c2cc(F)ccc2c2nc3c(=O)c4cc(F)ccc4c3nc12
InChIInChI=1S/C18H6F2N2O2/c19-7-1-3-9-11(5-7)17(23)15-13(9)21-16-14(22-15)10-4-2-8(20)6-12(10)18(16)24/h1-6H
InChIKeyOTTNBKVSKMEKPR-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.96
Rot. Bonds

About 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione

7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione (PubChem CID 58013046) has the molecular formula C18H6F2N2O2 and a molecular weight of 320.25 g/mol. Its IUPAC name is 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione.

Molecular Properties

Compound Name7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione
PubChem CID58013046
Molecular FormulaC18H6F2N2O2
Molecular Weight320.25 g/mol
Exact Mass320.04
IUPAC Name7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione
SMILESO=c1c2cc(F)ccc2c2nc3c(=O)c4cc(F)ccc4c3nc12
InChIInChI=1S/C18H6F2N2O2/c19-7-1-3-9-11(5-7)17(23)15-13(9)21-16-14(22-15)10-4-2-8(20)6-12(10)18(16)24/h1-6H
InChIKeyOTTNBKVSKMEKPR-UHFFFAOYSA-N
XLogP2.96
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione?
The IUPAC name of 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione (CID 58013046) is 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione.
What is the SMILES notation for 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione?
The canonical SMILES for 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione is O=c1c2cc(F)ccc2c2nc3c(=O)c4cc(F)ccc4c3nc12.
What is the InChIKey of 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione?
The InChIKey is OTTNBKVSKMEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F2N2O2/c19-7-1-3-9-11(5-7)17(23)15-13(9)21-16-14(22-15)10-4-2-8(20)6-12(10)18(16)24/h1-6H.
What are the key properties of 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione?
7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione has a molecular weight of 320.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-dione is sourced from PubChem (CID 58013046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).