(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione

C18H16FN5O3 — CID 70169716

IUPAC(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione
SMILESO=C1OCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C18H16FN5O3/c19-11-8-12-14-2-1-4-23(14)15-3-5-24-16(21-15)13(9-20-24)18(26)27-7-6-22(10-11)17(12)25/h3,5,8-10,14H,1-2,4,6-7H2/t14-/m1/s1
InChIKeyGILAGZOPOKXBMB-CQSZACIVSA-N
MW369.36 g/mol
LogP1.54
Rot. Bonds

About (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione

(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione (PubChem CID 70169716) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione.

Molecular Properties

Compound Name(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione
PubChem CID70169716
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione
SMILESO=C1OCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C18H16FN5O3/c19-11-8-12-14-2-1-4-23(14)15-3-5-24-16(21-15)13(9-20-24)18(26)27-7-6-22(10-11)17(12)25/h3,5,8-10,14H,1-2,4,6-7H2/t14-/m1/s1
InChIKeyGILAGZOPOKXBMB-CQSZACIVSA-N
XLogP1.54
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione?
The IUPAC name of (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione (CID 70169716) is (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione.
What is the SMILES notation for (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione?
The canonical SMILES for (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione is O=C1OCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2.
What is the InChIKey of (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione?
The InChIKey is GILAGZOPOKXBMB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-11-8-12-14-2-1-4-23(14)15-3-5-24-16(21-15)13(9-20-24)18(26)27-7-6-22(10-11)17(12)25/h3,5,8-10,14H,1-2,4,6-7H2/t14-/m1/s1.
What are the key properties of (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione?
(6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione has a molecular weight of 369.36 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-fluoro-14-oxa-2,11,18,19,22-pentazapentacyclo[14.5.2.17,11.02,6.019,23]tetracosa-1(22),7,9,16(23),17,20-hexaene-15,24-dione is sourced from PubChem (CID 70169716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).