5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol

C18H23NO3 — CID 163105271

IUPAC5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol
SMILESCOc1cc2c(cc1O)CN1CCC3=CCC(OC)CC31C2
InChIInChI=1S/C18H23NO3/c1-21-15-4-3-14-5-6-19-11-13-7-16(20)17(22-2)8-12(13)9-18(14,19)10-15/h3,7-8,15,20H,4-6,9-11H2,1-2H3
InChIKeyNSHUSMDHCCJJBM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds2

About 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol

5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol (PubChem CID 163105271) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol.

Molecular Properties

Compound Name5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol
PubChem CID163105271
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol
SMILESCOc1cc2c(cc1O)CN1CCC3=CCC(OC)CC31C2
InChIInChI=1S/C18H23NO3/c1-21-15-4-3-14-5-6-19-11-13-7-16(20)17(22-2)8-12(13)9-18(14,19)10-15/h3,7-8,15,20H,4-6,9-11H2,1-2H3
InChIKeyNSHUSMDHCCJJBM-UHFFFAOYSA-N
XLogP2.64
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol with MolForge

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Related Compounds

(2S,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-11-ol
CID 22295116
4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol
CID 162914620
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
(13aS)-11-methoxy-3-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
CID 118477563
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 69471549
(1S,14S,17R)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6-triene
CID 162991085
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene
CID 5317075
[(2R,13bS)-11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-2-yl] acetate
CID 11393681

Frequently Asked Questions

What is the IUPAC name of 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol?
The IUPAC name of 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol (CID 163105271) is 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol.
What is the SMILES notation for 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol?
The canonical SMILES for 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol is COc1cc2c(cc1O)CN1CCC3=CCC(OC)CC31C2.
What is the InChIKey of 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol?
The InChIKey is NSHUSMDHCCJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-15-4-3-14-5-6-19-11-13-7-16(20)17(22-2)8-12(13)9-18(14,19)10-15/h3,7-8,15,20H,4-6,9-11H2,1-2H3.
What are the key properties of 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol?
5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol has a molecular weight of 301.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol is sourced from PubChem (CID 163105271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).