(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene

C19H23NO3 — CID 11905166

IUPAC(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene
SMILESCOc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@@H]4[C@H](C2)CN(C)C[C@]341
InChIInChI=1S/C19H23NO3/c1-20-9-12-8-11-4-6-14(21-2)17-16(11)19(10-20)13(12)5-7-15(22-3)18(19)23-17/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13-,15+,18+,19-/m1/s1
InChIKeyLBCYQXWSCYRPMU-VULJSJLBSA-N
MW313.40 g/mol
LogP2.01
Rot. Bonds2

About (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene

(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene (PubChem CID 11905166) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene.

Molecular Properties

Compound Name(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene
PubChem CID11905166
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene
SMILESCOc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@@H]4[C@H](C2)CN(C)C[C@]341
InChIInChI=1S/C19H23NO3/c1-20-9-12-8-11-4-6-14(21-2)17-16(11)19(10-20)13(12)5-7-15(22-3)18(19)23-17/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13-,15+,18+,19-/m1/s1
InChIKeyLBCYQXWSCYRPMU-VULJSJLBSA-N
XLogP2.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene with MolForge

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Related Compounds

(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
(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
7,9-dimethoxy-3-propyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 134926681
[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
CID 24892850
[(4R,4aR,7S,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] methanesulfonate
CID 124936580
(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol
CID 146488110
[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethyl hydrogen phosphate
CID 69025796
O-[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] methylsulfanylmethanethioate
CID 14084042
7-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 5150469
(4S,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 90685762
bis((4R,7S,7aS,12bS)-9-methoxy-3,7-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline);methane;hydrochloride
CID 161156384
(7S,7aR)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide
CID 24840157

Frequently Asked Questions

What is the IUPAC name of (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene?
The IUPAC name of (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene (CID 11905166) is (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene.
What is the SMILES notation for (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene?
The canonical SMILES for (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene is COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@@H]4[C@H](C2)CN(C)C[C@]341.
What is the InChIKey of (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene?
The InChIKey is LBCYQXWSCYRPMU-VULJSJLBSA-N. The full InChI is InChI=1S/C19H23NO3/c1-20-9-12-8-11-4-6-14(21-2)17-16(11)19(10-20)13(12)5-7-15(22-3)18(19)23-17/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13-,15+,18+,19-/m1/s1.
What are the key properties of (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene?
(1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene has a molecular weight of 313.40 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,13R,14S,17R)-10,14-dimethoxy-3-methyl-12-oxa-3-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene is sourced from PubChem (CID 11905166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).