20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

C22H19FN2O5 — CID 10669266

IUPAC20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
SMILESCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)c(F)cc3nc2-1
InChIInChI=1S/C22H19FN2O5/c1-3-22(28)8-19(26)30-10-13-14(22)6-17-20-12(9-25(17)21(13)27)4-11-5-18(29-2)15(23)7-16(11)24-20/h4-7,28H,3,8-10H2,1-2H3
InChIKeyQKEGMFKKVJSQTO-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.62
Rot. Bonds2

About 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione (PubChem CID 10669266) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione.

Molecular Properties

Compound Name20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
PubChem CID10669266
Molecular FormulaC22H19FN2O5
Molecular Weight410.40 g/mol
Exact Mass410.13
IUPAC Name20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
SMILESCCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)c(F)cc3nc2-1
InChIInChI=1S/C22H19FN2O5/c1-3-22(28)8-19(26)30-10-13-14(22)6-17-20-12(9-25(17)21(13)27)4-11-5-18(29-2)15(23)7-16(11)24-20/h4-7,28H,3,8-10H2,1-2H3
InChIKeyQKEGMFKKVJSQTO-UHFFFAOYSA-N
XLogP2.62
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione?
The IUPAC name of 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione (CID 10669266) is 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione.
What is the SMILES notation for 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione?
The canonical SMILES for 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione is CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)c(F)cc3nc2-1.
What is the InChIKey of 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione?
The InChIKey is QKEGMFKKVJSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-3-22(28)8-19(26)30-10-13-14(22)6-17-20-12(9-25(17)21(13)27)4-11-5-18(29-2)15(23)7-16(11)24-20/h4-7,28H,3,8-10H2,1-2H3.
What are the key properties of 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione?
20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione has a molecular weight of 410.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-ethyl-6-fluoro-20-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione is sourced from PubChem (CID 10669266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).