5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol

C24H31NO2 — CID 53461509

IUPAC5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol
SMILESC#CC1(O)CCC2N3CCc4cc(OC5CCCC5)ccc4C3CCC21C
InChIInChI=1S/C24H31NO2/c1-3-24(26)14-11-22-23(24,2)13-10-21-20-9-8-19(27-18-6-4-5-7-18)16-17(20)12-15-25(21)22/h1,8-9,16,18,21-22,26H,4-7,10-15H2,2H3
InChIKeyQGWWASIHPVPJHT-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.23
Rot. Bonds2

About 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol

5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol (PubChem CID 53461509) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol.

Molecular Properties

Compound Name5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol
PubChem CID53461509
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol
SMILESC#CC1(O)CCC2N3CCc4cc(OC5CCCC5)ccc4C3CCC21C
InChIInChI=1S/C24H31NO2/c1-3-24(26)14-11-22-23(24,2)13-10-21-20-9-8-19(27-18-6-4-5-7-18)16-17(20)12-15-25(21)22/h1,8-9,16,18,21-22,26H,4-7,10-15H2,2H3
InChIKeyQGWWASIHPVPJHT-UHFFFAOYSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol?
The IUPAC name of 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) is 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol.
What is the SMILES notation for 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol?
The canonical SMILES for 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol is C#CC1(O)CCC2N3CCc4cc(OC5CCCC5)ccc4C3CCC21C.
What is the InChIKey of 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol?
The InChIKey is QGWWASIHPVPJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-24(26)14-11-22-23(24,2)13-10-21-20-9-8-19(27-18-6-4-5-7-18)16-17(20)12-15-25(21)22/h1,8-9,16,18,21-22,26H,4-7,10-15H2,2H3.
What are the key properties of 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol?
5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol has a molecular weight of 365.52 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol is sourced from PubChem (CID 53461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).