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

C27H25NO5 — CID 118927650

IUPAC6-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
SMILESCOC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1
InChIInChI=1S/C27H25NO5/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/h5-11,14,20,26,28H,12H2,1-4H3
InChIKeySWDWFUFVNPTZFA-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.64
Rot. Bonds1

About 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

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 118927650) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 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 Name6-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 CID118927650
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name6-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
SMILESCOC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1
InChIInChI=1S/C27H25NO5/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/h5-11,14,20,26,28H,12H2,1-4H3
InChIKeySWDWFUFVNPTZFA-UHFFFAOYSA-N
XLogP4.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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

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

Launch Full Analysis

Related Compounds

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
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
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
2,7-dimethylphenanthrene;ethane
CID 91503011
methyl (2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 10944406
7-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 10727167
[(E)-(7-methyl-1-oxo-3,4-dihydrophenanthren-2-ylidene)amino] acetate
CID 58489988
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
CID 89222087
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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 COC1CC2(C)Nc3c(ccc4c3C(=O)c3ccc5cc(C)ccc5c3C4=O)OC2C(C)O1.
What is the InChIKey of 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 SWDWFUFVNPTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/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/h5-11,14,20,26,28H,12H2,1-4H3.
What are the key properties of 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?
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 443.50 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 118927650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).