(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione

C23H29FN2O5 — CID 170605348

IUPAC(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione
SMILESC[C@@H]1C[C@]2(COCC(=O)N2)[C@H]2COC3CCC(CC3)c3cccc(F)c3OCC(=O)N12
InChIInChI=1S/C23H29FN2O5/c1-14-9-23(13-29-11-20(27)25-23)19-10-30-16-7-5-15(6-8-16)17-3-2-4-18(24)22(17)31-12-21(28)26(14)19/h2-4,14-16,19H,5-13H2,1H3,(H,25,27)/t14-,15?,16?,19-,23+/m1/s1
InChIKeyRQPOKOLHWNKMKE-PVSKYKLSSA-N
MW432.49 g/mol
LogP2.14
Rot. Bonds

About (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione

(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione (PubChem CID 170605348) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione.

Molecular Properties

Compound Name(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione
PubChem CID170605348
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione
SMILESC[C@@H]1C[C@]2(COCC(=O)N2)[C@H]2COC3CCC(CC3)c3cccc(F)c3OCC(=O)N12
InChIInChI=1S/C23H29FN2O5/c1-14-9-23(13-29-11-20(27)25-23)19-10-30-16-7-5-15(6-8-16)17-3-2-4-18(24)22(17)31-12-21(28)26(14)19/h2-4,14-16,19H,5-13H2,1H3,(H,25,27)/t14-,15?,16?,19-,23+/m1/s1
InChIKeyRQPOKOLHWNKMKE-PVSKYKLSSA-N
XLogP2.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione?
The IUPAC name of (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione (CID 170605348) is (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione.
What is the SMILES notation for (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione?
The canonical SMILES for (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione is C[C@@H]1C[C@]2(COCC(=O)N2)[C@H]2COC3CCC(CC3)c3cccc(F)c3OCC(=O)N12.
What is the InChIKey of (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione?
The InChIKey is RQPOKOLHWNKMKE-PVSKYKLSSA-N. The full InChI is InChI=1S/C23H29FN2O5/c1-14-9-23(13-29-11-20(27)25-23)19-10-30-16-7-5-15(6-8-16)17-3-2-4-18(24)22(17)31-12-21(28)26(14)19/h2-4,14-16,19H,5-13H2,1H3,(H,25,27)/t14-,15?,16?,19-,23+/m1/s1.
What are the key properties of (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione?
(12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione has a molecular weight of 432.49 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12R,14R,15S)-6-fluoro-12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2(7),3,5-triene-14,5'-morpholine]-3',10-dione is sourced from PubChem (CID 170605348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).