9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene

C18H23NO3 — CID 123460247

IUPAC9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene
SMILESCOc1ccc2c3c1OC1C4CCC(O4)C(C2)N(C)CCC31
InChIInChI=1S/C18H23NO3/c1-19-8-7-11-16-10-3-4-14(20-2)18(16)22-17(11)15-6-5-13(21-15)12(19)9-10/h3-4,11-13,15,17H,5-9H2,1-2H3
InChIKeyQITWFBRIMUAZPV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds1

About 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene

9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene (PubChem CID 123460247) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene.

Molecular Properties

Compound Name9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene
PubChem CID123460247
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene
SMILESCOc1ccc2c3c1OC1C4CCC(O4)C(C2)N(C)CCC31
InChIInChI=1S/C18H23NO3/c1-19-8-7-11-16-10-3-4-14(20-2)18(16)22-17(11)15-6-5-13(21-15)12(19)9-10/h3-4,11-13,15,17H,5-9H2,1-2H3
InChIKeyQITWFBRIMUAZPV-UHFFFAOYSA-N
XLogP2.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(8E)-4-methoxy-11,13-dimethyl-6-oxa-13-azatetracyclo[10.5.1.05,17.07,16]octadeca-1(17),2,4,8-tetraen-8-yl] benzoate
CID 134186040
(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 67076419
(4R,5R,7aR,12bS)-5,9-dimethoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 167120611
(4S,4aS,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 98457647
zinc bis((4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one)
CID 11671941
(12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 169451473
(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;dihydrate;hydrochloride
CID 138455078
(4S,4aS,7R,7aS,12bR)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 134849194
(12bR)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 59245054
(4R,6R,7S,7aR,12bS)-7,9-dimethoxy-3,6-dimethyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 163835156
(4aR,7S,7aR)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 90160032
(4S,4aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 119057827

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene?
The IUPAC name of 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene (CID 123460247) is 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene.
What is the SMILES notation for 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene?
The canonical SMILES for 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene is COc1ccc2c3c1OC1C4CCC(O4)C(C2)N(C)CCC31.
What is the InChIKey of 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene?
The InChIKey is QITWFBRIMUAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19-8-7-11-16-10-3-4-14(20-2)18(16)22-17(11)15-6-5-13(21-15)12(19)9-10/h3-4,11-13,15,17H,5-9H2,1-2H3.
What are the key properties of 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene?
9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene has a molecular weight of 301.39 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-17-methyl-7,19-dioxa-17-azapentacyclo[10.5.1.12,5.06,14.08,13]nonadeca-8,10,12-triene is sourced from PubChem (CID 123460247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).