4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol

C19H25NO3 — CID 162914620

IUPAC4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol
SMILESCOc1cc2c(cc1O)CCCN1CCC3=CCC(OC)CC321
InChIInChI=1S/C19H25NO3/c1-22-15-6-5-14-7-9-20-8-3-4-13-10-17(21)18(23-2)11-16(13)19(14,20)12-15/h5,10-11,15,21H,3-4,6-9,12H2,1-2H3
InChIKeyJQXBUOFFMQMBJB-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.98
Rot. Bonds2

About 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol

4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol (PubChem CID 162914620) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol.

Molecular Properties

Compound Name4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol
PubChem CID162914620
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol
SMILESCOc1cc2c(cc1O)CCCN1CCC3=CCC(OC)CC321
InChIInChI=1S/C19H25NO3/c1-22-15-6-5-14-7-9-20-8-3-4-13-10-17(21)18(23-2)11-16(13)19(14,20)12-15/h5,10-11,15,21H,3-4,6-9,12H2,1-2H3
InChIKeyJQXBUOFFMQMBJB-UHFFFAOYSA-N
XLogP2.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-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
5,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.03,8]heptadeca-3,5,7,13-tetraen-6-ol
CID 163105271
4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene
CID 5317075
(1S,14S,17R)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6-triene
CID 162991085
5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
CID 59818056
2,11,12-trimethoxy-2,3,4,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 162802318
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
[(2R,13bS)-11,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-2-yl] acetate
CID 11393681
(4aS,13bS)-11-methoxy-12-propan-2-yloxy-2,3,4,4a,5,6,8,9-octahydro-1H-indolo[7a,1-a]isoquinoline
CID 72793457
(10bS)-10b-ethenyl-8,9-dimethoxy-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline
CID 638514
(1S,15S,16R)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol
CID 162937885
4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol
CID 615152

Frequently Asked Questions

What is the IUPAC name of 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol?
The IUPAC name of 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol (CID 162914620) is 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol.
What is the SMILES notation for 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol?
The canonical SMILES for 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol is COc1cc2c(cc1O)CCCN1CCC3=CCC(OC)CC321.
What is the InChIKey of 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol?
The InChIKey is JQXBUOFFMQMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-15-6-5-14-7-9-20-8-3-4-13-10-17(21)18(23-2)11-16(13)19(14,20)12-15/h5,10-11,15,21H,3-4,6-9,12H2,1-2H3.
What are the key properties of 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol?
4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol has a molecular weight of 315.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,17-dimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-5-ol is sourced from PubChem (CID 162914620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).