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Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate

C21H23FN2O5 — CID 143890803

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC(O)C[C@@H]1CCO3
InChIInChI=1S/C21H23FN2O5/c1-2-28-21(27)15-10-24(11-3-4-11)17-14(19(15)26)8-16(22)18-20(17)29-6-5-12-7-13(25)9-23(12)18/h8,10-13,25H,2-7,9H2,1H3/t12-,13?/m0/s1
InChIKeyCFACQVINMPHTHB-UEWDXFNNSA-N
MW402.42 g/mol
LogP2.37
Rot. Bonds3

About Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate

Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate (PubChem CID 143890803) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate.

Molecular Properties

Compound NameEthyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
PubChem CID143890803
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Nameethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC(O)C[C@@H]1CCO3
InChIInChI=1S/C21H23FN2O5/c1-2-28-21(27)15-10-24(11-3-4-11)17-14(19(15)26)8-16(22)18-20(17)29-6-5-12-7-13(25)9-23(12)18/h8,10-13,25H,2-7,9H2,1H3/t12-,13?/m0/s1
InChIKeyCFACQVINMPHTHB-UEWDXFNNSA-N
XLogP2.37
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The IUPAC name of Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate (CID 143890803) is ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate.
What is the SMILES notation for Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The canonical SMILES for Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate is CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC(O)C[C@@H]1CCO3.
What is the InChIKey of Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
The InChIKey is CFACQVINMPHTHB-UEWDXFNNSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-2-28-21(27)15-10-24(11-3-4-11)17-14(19(15)26)8-16(22)18-20(17)29-6-5-12-7-13(25)9-23(12)18/h8,10-13,25H,2-7,9H2,1H3/t12-,13?/m0/s1.
What are the key properties of Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate?
Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate has a molecular weight of 402.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl (6S)-12-cyclopropyl-18-fluoro-4-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate is sourced from PubChem (CID 143890803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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