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

C21H25NO6 — CID 163045311

IUPAC(1S,10R)-3,4,11,12-tetramethoxy-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(OC)c4[C@]2(CC1=O)CC(=O)N3C
InChIInChI=1S/C21H25NO6/c1-22-15(24)11-20-10-13(23)17(26-3)19(28-5)21(20,22)9-8-12-6-7-14(25-2)18(27-4)16(12)20/h6-7H,8-11H2,1-5H3/t20-,21-/m0/s1
InChIKeySHCZSYHJJAWASJ-SFTDATJTSA-N
MW387.43 g/mol
LogP1.97
Rot. Bonds4

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

(1S,10R)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione (PubChem CID 163045311) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is (1S,10R)-3,4,11,12-tetramethoxy-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(1S,10R)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione
PubChem CID163045311
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name(1S,10R)-3,4,11,12-tetramethoxy-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(OC)c4[C@]2(CC1=O)CC(=O)N3C
InChIInChI=1S/C21H25NO6/c1-22-15(24)11-20-10-13(23)17(26-3)19(28-5)21(20,22)9-8-12-6-7-14(25-2)18(27-4)16(12)20/h6-7H,8-11H2,1-5H3/t20-,21-/m0/s1
InChIKeySHCZSYHJJAWASJ-SFTDATJTSA-N
XLogP1.97
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,10R)-3,4,11,12-tetramethoxy-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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Related Compounds

(1S,10S)-4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 22295986
(1S,13S)-14,15-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraen-16-one
CID 44584410
8-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene-11,12-dione
CID 162932486
(1S,10S)-4,11,12-trimethoxy-17-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
CID 177471071
(1R,10S)-4-hydroxy-3,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 162854117
(8R,11R,12S,13S)-11,13-dihydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-16-one
CID 131632942
(1S,10S,13S)-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-3,13-diol
CID 163003612
(1S,9S,10R)-10-hydroxy-4,12-dimethoxy-17-methyl-3-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 46178548
(1R,10S)-3,4-dimethoxy-17-methyl-10-(naphthalen-2-ylmethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 10073499
(1S,9S,10S,13S)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
CID 6916435
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
(1R,12S)-4,11,12-trimethoxy-3-(methoxymethoxy)-13-methyl-13-azatetracyclo[10.3.2.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-17-one
CID 25215819

Frequently Asked Questions

What is the IUPAC name of (1S,10R)-3,4,11,12-tetramethoxy-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 (1S,10R)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione (CID 163045311) is (1S,10R)-3,4,11,12-tetramethoxy-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 (1S,10R)-3,4,11,12-tetramethoxy-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 (1S,10R)-3,4,11,12-tetramethoxy-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(OC)c4[C@]2(CC1=O)CC(=O)N3C.
What is the InChIKey of (1S,10R)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
The InChIKey is SHCZSYHJJAWASJ-SFTDATJTSA-N. The full InChI is InChI=1S/C21H25NO6/c1-22-15(24)11-20-10-13(23)17(26-3)19(28-5)21(20,22)9-8-12-6-7-14(25-2)18(27-4)16(12)20/h6-7H,8-11H2,1-5H3/t20-,21-/m0/s1.
What are the key properties of (1S,10R)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-13,16-dione?
(1S,10R)-3,4,11,12-tetramethoxy-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 387.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-3,4,11,12-tetramethoxy-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 163045311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).