cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate

C20H20FN3O3 — CID 22828756

IUPACcyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
SMILESO=C(OC1CCCCC1)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C20H20FN3O3/c21-12-6-7-15-14(10-12)19(25)23-9-8-16(23)18-17(22-11-24(15)18)20(26)27-13-4-2-1-3-5-13/h6-7,10-11,13,16H,1-5,8-9H2/t16-/m0/s1
InChIKeyROJRCUQYCYVBIT-INIZCTEOSA-N
MW369.40 g/mol
LogP3.40
Rot. Bonds2

About cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate

cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate (PubChem CID 22828756) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate.

Molecular Properties

Compound Namecyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
PubChem CID22828756
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Namecyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
SMILESO=C(OC1CCCCC1)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C20H20FN3O3/c21-12-6-7-15-14(10-12)19(25)23-9-8-16(23)18-17(22-11-24(15)18)20(26)27-13-4-2-1-3-5-13/h6-7,10-11,13,16H,1-5,8-9H2/t16-/m0/s1
InChIKeyROJRCUQYCYVBIT-INIZCTEOSA-N
XLogP3.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate?
The IUPAC name of cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate (CID 22828756) is cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate.
What is the SMILES notation for cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate?
The canonical SMILES for cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate is O=C(OC1CCCCC1)c1ncn2c1[C@@H]1CCN1C(=O)c1cc(F)ccc1-2.
What is the InChIKey of cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate?
The InChIKey is ROJRCUQYCYVBIT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-12-6-7-15-14(10-12)19(25)23-9-8-16(23)18-17(22-11-24(15)18)20(26)27-13-4-2-1-3-5-13/h6-7,10-11,13,16H,1-5,8-9H2/t16-/m0/s1.
What are the key properties of cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate?
cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (7S)-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate is sourced from PubChem (CID 22828756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).