(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione

C27H30FNO4 — CID 174263068

IUPAC(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione
SMILESC[C@H]1CC2C(=O)CCCOc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1
InChIInChI=1S/C27H30FNO4/c1-17-12-21-22(27(14-17)16-32-15-25(31)29-27)13-18-6-4-8-20(26(18)28)19-7-2-3-10-24(19)33-11-5-9-23(21)30/h2-4,6-8,10,17,21-22H,5,9,11-16H2,1H3,(H,29,31)/t17-,21?,22?,27?/m0/s1
InChIKeyBQRPJIATHNYVCB-WMIHNSDKSA-N
MW451.54 g/mol
LogP4.32
Rot. Bonds

About (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione

(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione (PubChem CID 174263068) has the molecular formula C27H30FNO4 and a molecular weight of 451.54 g/mol. Its IUPAC name is (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione.

Molecular Properties

Compound Name(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione
PubChem CID174263068
Molecular FormulaC27H30FNO4
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Name(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione
SMILESC[C@H]1CC2C(=O)CCCOc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1
InChIInChI=1S/C27H30FNO4/c1-17-12-21-22(27(14-17)16-32-15-25(31)29-27)13-18-6-4-8-20(26(18)28)19-7-2-3-10-24(19)33-11-5-9-23(21)30/h2-4,6-8,10,17,21-22H,5,9,11-16H2,1H3,(H,29,31)/t17-,21?,22?,27?/m0/s1
InChIKeyBQRPJIATHNYVCB-WMIHNSDKSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione with MolForge

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Related Compounds

23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
CID 174263444
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845
15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
CID 170199748
1-fluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 176836338
1,1-difluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 170199942
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
spiro[2,4-dihydrochromene-3,5'-pyrrolidine]-2'-one
CID 10560073
1-fluoro-N-(23-fluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 170199965
ethane;23-fluoro-14-methyl-5'-methylidenespiro[8-oxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),3,5,19(23),20-pentaene-16,3'-morpholine]-12-one
CID 170605750
8,21,34,39,44,49-hexaoxaheptacyclo[48.4.0.02,7.09,14.015,20.022,27.028,33]tetrapentaconta-1(54),2,4,6,9,11,13,15,17,19,22,24,26,28,30,32,50,52-octadecaene
CID 91504873
6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
CID 11775838
3,4-dihydro-2H-chromene;ethane
CID 91076984

Frequently Asked Questions

What is the IUPAC name of (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione?
The IUPAC name of (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione (CID 174263068) is (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione.
What is the SMILES notation for (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione?
The canonical SMILES for (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione is C[C@H]1CC2C(=O)CCCOc3ccccc3-c3cccc(c3F)CC2C2(COCC(=O)N2)C1.
What is the InChIKey of (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione?
The InChIKey is BQRPJIATHNYVCB-WMIHNSDKSA-N. The full InChI is InChI=1S/C27H30FNO4/c1-17-12-21-22(27(14-17)16-32-15-25(31)29-27)13-18-6-4-8-20(26(18)28)19-7-2-3-10-24(19)33-11-5-9-23(21)30/h2-4,6-8,10,17,21-22H,5,9,11-16H2,1H3,(H,29,31)/t17-,21?,22?,27?/m0/s1.
What are the key properties of (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione?
(15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione has a molecular weight of 451.54 g/mol, XLogP of 4.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-24-fluoro-15-methylspiro[8-oxatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaene-17,5'-morpholine]-3',12-dione is sourced from PubChem (CID 174263068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).