8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene

C18H19NO2 — CID 624559

IUPAC8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene
SMILESCOc1ccc2c3c1OC1CC=CC4(C=C2)N(C)CCC314
InChIInChI=1S/C18H19NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h3,5-9,14H,4,10-11H2,1-2H3
InChIKeyIRKRBEMPEYSKGO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds1

About 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene

8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene (PubChem CID 624559) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene.

Molecular Properties

Compound Name8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene
PubChem CID624559
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene
SMILESCOc1ccc2c3c1OC1CC=CC4(C=C2)N(C)CCC314
InChIInChI=1S/C18H19NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h3,5-9,14H,4,10-11H2,1-2H3
InChIKeyIRKRBEMPEYSKGO-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S,13R)-8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraene
CID 71546454
9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 626987
(4R,4aS,7aS,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 22295938
(5S,13R)-8-methoxy-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11,17-tetraen-15-one
CID 71546387
(1S,12R,13R)-9-methoxy-4,4-dimethyl-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-13-ol
CID 1403402
methyl (1S,13S)-10-methoxy-17-oxo-12-oxa-4-azatetracyclo[9.6.1.01,13.07,18]octadeca-7(18),8,10,15-tetraene-4-carboxylate
CID 53230671
(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one;trifluoroborane
CID 15981308
(5S,12R)-9-methoxy-4,5-dimethyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 146028083
(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)hydrazine
CID 73303132
[(1R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] sulfite
CID 59825485
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 3449
(12R,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-amine
CID 173120379

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene?
The IUPAC name of 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene (CID 624559) is 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene.
What is the SMILES notation for 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene?
The canonical SMILES for 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene is COc1ccc2c3c1OC1CC=CC4(C=C2)N(C)CCC314.
What is the InChIKey of 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene?
The InChIKey is IRKRBEMPEYSKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-11-10-18-14-4-3-8-17(18,19)9-7-12-5-6-13(20-2)16(21-14)15(12)18/h3,5-9,14H,4,10-11H2,1-2H3.
What are the key properties of 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene?
8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene has a molecular weight of 281.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11,17-pentaene is sourced from PubChem (CID 624559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).