(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione

C23H28F2N2O5 — CID 174260667

IUPAC(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
SMILESO=C1COC[C@@]2(CCCN3C(=O)COc4c(F)cc(F)cc4C4CCC(CC4)OC[C@H]32)N1
InChIInChI=1S/C23H28F2N2O5/c24-15-8-17-14-2-4-16(5-3-14)31-10-19-23(13-30-11-20(28)26-23)6-1-7-27(19)21(29)12-32-22(17)18(25)9-15/h8-9,14,16,19H,1-7,10-13H2,(H,26,28)/t14?,16?,19-,23+/m0/s1
InChIKeyFQEFBVCQFNSRKR-RDIWPXSJSA-N
MW450.48 g/mol
LogP2.28
Rot. Bonds

About (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione

(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione (PubChem CID 174260667) has the molecular formula C23H28F2N2O5 and a molecular weight of 450.48 g/mol. Its IUPAC name is (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione.

Molecular Properties

Compound Name(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
PubChem CID174260667
Molecular FormulaC23H28F2N2O5
Molecular Weight450.48 g/mol
Exact Mass450.20
IUPAC Name(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
SMILESO=C1COC[C@@]2(CCCN3C(=O)COc4c(F)cc(F)cc4C4CCC(CC4)OC[C@H]32)N1
InChIInChI=1S/C23H28F2N2O5/c24-15-8-17-14-2-4-16(5-3-14)31-10-19-23(13-30-11-20(28)26-23)6-1-7-27(19)21(29)12-32-22(17)18(25)9-15/h8-9,14,16,19H,1-7,10-13H2,(H,26,28)/t14?,16?,19-,23+/m0/s1
InChIKeyFQEFBVCQFNSRKR-RDIWPXSJSA-N
XLogP2.28
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione?
The IUPAC name of (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione (CID 174260667) is (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione.
What is the SMILES notation for (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione?
The canonical SMILES for (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione is O=C1COC[C@@]2(CCCN3C(=O)COc4c(F)cc(F)cc4C4CCC(CC4)OC[C@H]32)N1.
What is the InChIKey of (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione?
The InChIKey is FQEFBVCQFNSRKR-RDIWPXSJSA-N. The full InChI is InChI=1S/C23H28F2N2O5/c24-15-8-17-14-2-4-16(5-3-14)31-10-19-23(13-30-11-20(28)26-23)6-1-7-27(19)21(29)12-32-22(17)18(25)9-15/h8-9,14,16,19H,1-7,10-13H2,(H,26,28)/t14?,16?,19-,23+/m0/s1.
What are the key properties of (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione?
(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione has a molecular weight of 450.48 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione is sourced from PubChem (CID 174260667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).