6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione

C18H6F2N2O2 — CID 102408889

IUPAC6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione
SMILESO=c1c2cc(F)ccc2c2nc3c(=O)c4ccc(F)cc4c3nc12
InChIInChI=1S/C18H6F2N2O2/c19-7-2-4-10-11(5-7)14-16(17(10)23)21-13-9-3-1-8(20)6-12(9)18(24)15(13)22-14/h1-6H
InChIKeyZYXSVFASRWVVPZ-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.96
Rot. Bonds

About 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione

6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione (PubChem CID 102408889) has the molecular formula C18H6F2N2O2 and a molecular weight of 320.25 g/mol. Its IUPAC name is 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione.

Molecular Properties

Compound Name6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione
PubChem CID102408889
Molecular FormulaC18H6F2N2O2
Molecular Weight320.25 g/mol
Exact Mass320.04
IUPAC Name6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione
SMILESO=c1c2cc(F)ccc2c2nc3c(=O)c4ccc(F)cc4c3nc12
InChIInChI=1S/C18H6F2N2O2/c19-7-2-4-10-11(5-7)14-16(17(10)23)21-13-9-3-1-8(20)6-12(9)18(24)15(13)22-14/h1-6H
InChIKeyZYXSVFASRWVVPZ-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 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione?
The IUPAC name of 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione (CID 102408889) is 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione.
What is the SMILES notation for 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione?
The canonical SMILES for 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione is O=c1c2cc(F)ccc2c2nc3c(=O)c4ccc(F)cc4c3nc12.
What is the InChIKey of 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione?
The InChIKey is ZYXSVFASRWVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F2N2O2/c19-7-2-4-10-11(5-7)14-16(17(10)23)21-13-9-3-1-8(20)6-12(9)18(24)15(13)22-14/h1-6H.
What are the key properties of 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione?
6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(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 6,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-dione is sourced from PubChem (CID 102408889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).