(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one

C18H23NO2 — CID 10446656

IUPAC(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
SMILESCOc1ccc2c(c1)CCN1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21
InChIInChI=1S/C18H23NO2/c1-18-9-7-15-14-4-3-13(21-2)11-12(14)8-10-19(15)16(18)5-6-17(18)20/h3-4,11,15-16H,5-10H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyDBNZEKOOGJFTSI-XYJFISCASA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds1

About (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one

(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one (PubChem CID 10446656) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one.

Molecular Properties

Compound Name(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
PubChem CID10446656
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
SMILESCOc1ccc2c(c1)CCN1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21
InChIInChI=1S/C18H23NO2/c1-18-9-7-15-14-4-3-13(21-2)11-12(14)8-10-19(15)16(18)5-6-17(18)20/h3-4,11,15-16H,5-10H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyDBNZEKOOGJFTSI-XYJFISCASA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one with MolForge

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Related Compounds

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9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
CID 23262749
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
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(8R,9S,13S,14S)-3-methoxy-13-methyl-7-propyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 142627734
(1R,11R,15S)-5-hydroxy-15-propyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
CID 97356876
(8R,9S,13S)-3-methoxy-13-methyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 10869758
(8S,9R,13S,14S)-11-(hydroxymethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 142660210
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
(7R,8R,9S,13S,14S)-7-(3-hydroxypropyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 90966509
5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol
CID 53461509
(13S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 54575269

Frequently Asked Questions

What is the IUPAC name of (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one?
The IUPAC name of (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one (CID 10446656) is (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one.
What is the SMILES notation for (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one?
The canonical SMILES for (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one is COc1ccc2c(c1)CCN1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21.
What is the InChIKey of (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one?
The InChIKey is DBNZEKOOGJFTSI-XYJFISCASA-N. The full InChI is InChI=1S/C18H23NO2/c1-18-9-7-15-14-4-3-13(21-2)11-12(14)8-10-19(15)16(18)5-6-17(18)20/h3-4,11,15-16H,5-10H2,1-2H3/t15-,16-,18+/m0/s1.
What are the key properties of (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one?
(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one has a molecular weight of 285.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one is sourced from PubChem (CID 10446656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).