4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol

C18H25NO5 — CID 162910365

IUPAC4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol
SMILESCOc1cc2c(c(OC)c1O)CN1CC(O)C23CCC(OC)CC13
InChIInChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3
InChIKeyRRUFHULZICOXGJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.40
Rot. Bonds3

About 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol

4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol (PubChem CID 162910365) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol.

Molecular Properties

Compound Name4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol
PubChem CID162910365
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol
SMILESCOc1cc2c(c(OC)c1O)CN1CC(O)C23CCC(OC)CC13
InChIInChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3
InChIKeyRRUFHULZICOXGJ-UHFFFAOYSA-N
XLogP1.40
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol with MolForge

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Related Compounds

(1S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-ol
CID 163038655
(1R,10R,12R)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene
CID 162892215
9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol
CID 535121
(3aR,6R,7aS)-3a,6-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 119065770
[(1S,13R)-17-acetyloxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-yl] acetate
CID 22213304
(1S,13R,16S,17S)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
CID 162893618
[(1S,10S,12R,16R)-16-hydroxy-4,5-dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl] acetate
CID 162974017
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
CID 102292804
(2S,3R,11bS)-2,3-diethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-ol
CID 14138225
(3aR,6S,7aS)-3a,6-dimethoxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118772693
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 162979657

Frequently Asked Questions

What is the IUPAC name of 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol?
The IUPAC name of 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol (CID 162910365) is 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol.
What is the SMILES notation for 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol?
The canonical SMILES for 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol is COc1cc2c(c(OC)c1O)CN1CC(O)C23CCC(OC)CC13.
What is the InChIKey of 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol?
The InChIKey is RRUFHULZICOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-10-4-5-18-12-7-13(23-2)16(21)17(24-3)11(12)8-19(9-15(18)20)14(18)6-10/h7,10,14-15,20-21H,4-6,8-9H2,1-3H3.
What are the key properties of 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol?
4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol has a molecular weight of 335.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol is sourced from PubChem (CID 162910365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).