methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione

C50H50N2O10 — CID 158260961

IUPACmethane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione
SMILESC.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccccc3C4=O)OC2C(C)O1
InChIInChI=1S/C27H25NO5.C22H21NO5.CH4/c1-13-5-7-16-15(11-13)6-8-17-21(16)24(29)18-9-10-19-23(22(18)25(17)30)28-27(3)12-20(31-4)32-14(2)26(27)33-19;1-11-21-22(2,10-16(26-3)27-11)23-18-15(28-21)9-8-14-17(18)20(25)13-7-5-4-6-12(13)19(14)24;/h5-11,14,20,26,28H,12H2,1-4H3;4-9,11,16,21,23H,10H2,1-3H3;1H4
InChIKeyGHWDEQODDFEKLO-UHFFFAOYSA-N
MW838.95 g/mol
LogP8.45
Rot. Bonds2

About methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione

methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione (PubChem CID 158260961) has the molecular formula C50H50N2O10 and a molecular weight of 838.95 g/mol. Its IUPAC name is methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione.

Molecular Properties

Compound Namemethane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione
PubChem CID158260961
Molecular FormulaC50H50N2O10
Molecular Weight838.95 g/mol
Exact Mass838.35
IUPAC Namemethane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione
SMILESC.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccccc3C4=O)OC2C(C)O1
InChIInChI=1S/C27H25NO5.C22H21NO5.CH4/c1-13-5-7-16-15(11-13)6-8-17-21(16)24(29)18-9-10-19-23(22(18)25(17)30)28-27(3)12-20(31-4)32-14(2)26(27)33-19;1-11-21-22(2,10-16(26-3)27-11)23-18-15(28-21)9-8-14-17(18)20(25)13-7-5-4-6-12(13)19(14)24;/h5-11,14,20,26,28H,12H2,1-4H3;4-9,11,16,21,23H,10H2,1-3H3;1H4
InChIKeyGHWDEQODDFEKLO-UHFFFAOYSA-N
XLogP8.45
TPSA147.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.95
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione with MolForge

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Related Compounds

6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione
CID 118927650
8-amino-9-[[(3R)-6-methoxy-2,4-dimethyloxan-3-yl]methyl]-3-methylbenzo[a]anthracene-7,12-dione
CID 145026859
8-[[(2S,3R,4R)-3,6-dihydroxy-2-methyloxan-4-yl]amino]-3-methylbenzo[a]anthracene-7,12-dione
CID 130417646
17-methylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-12-one
CID 156787709
anthracene-9,10-dione;2-methylanthracene
CID 159482173
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
5-methoxybenzo[b]fluoren-11-one
CID 10753817
2-methyl-11-phenoxytetracene-5,12-dione
CID 101421338
3-methyl-10-sulfanylideneanthracen-9-one
CID 139845298
2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione
CID 10730441
benzo[c]fluoren-7-one
CID 22413
1-methoxy-2-[(2R,6R)-6-methyl-4-oxooxan-2-yl]anthracene-9,10-dione
CID 100971120

Frequently Asked Questions

What is the IUPAC name of methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione?
The IUPAC name of methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione (CID 158260961) is methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione.
What is the SMILES notation for methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione?
The canonical SMILES for methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione is C.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1.COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccccc3C4=O)OC2C(C)O1.
What is the InChIKey of methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione?
The InChIKey is GHWDEQODDFEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5.C22H21NO5.CH4/c1-13-5-7-16-15(11-13)6-8-17-21(16)24(29)18-9-10-19-23(22(18)25(17)30)28-27(3)12-20(31-4)32-14(2)26(27)33-19;1-11-21-22(2,10-16(26-3)27-11)23-18-15(28-21)9-8-14-17(18)20(25)13-7-5-4-6-12(13)19(14)24;/h5-11,14,20,26,28H,12H2,1-4H3;4-9,11,16,21,23H,10H2,1-3H3;1H4.
What are the key properties of methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione?
methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione has a molecular weight of 838.95 g/mol, XLogP of 8.45, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methoxy-4,8-dimethyl-7,10-dioxa-3-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),12,16,18,20-hexaene-15,22-dione;6-methoxy-4,8,20-trimethyl-7,10-dioxa-3-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),12,16(25),17(22),18,20,23-octaene-15,26-dione is sourced from PubChem (CID 158260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).