(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione

C20H23NO6 — CID 15764659

IUPAC(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione
SMILESCOC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C
InChIInChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1
InChIKeyCLWJGNIITFMBQR-WOJBJXKFSA-N
MW373.41 g/mol
LogP1.66
Rot. Bonds3

About (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione

(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione (PubChem CID 15764659) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione.

Molecular Properties

Compound Name(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione
PubChem CID15764659
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione
SMILESCOC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C
InChIInChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1
InChIKeyCLWJGNIITFMBQR-WOJBJXKFSA-N
XLogP1.66
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
The IUPAC name of (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione (CID 15764659) is (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione.
What is the SMILES notation for (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
The canonical SMILES for (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione is COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C.
What is the InChIKey of (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
The InChIKey is CLWJGNIITFMBQR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H23NO6/c1-21-14(23)10-19-9-12(22)17(26-3)18(27-4)20(19,21)8-7-11-5-6-13(25-2)16(24)15(11)19/h5-6,24H,7-10H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
(1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione has a molecular weight of 373.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione is sourced from PubChem (CID 15764659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).