14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene

C19H19NO3 — CID 11392715

IUPAC14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
SMILESCOc1c(OC)c(OC)c2c3c(cc4ccccc42)NCCc13
InChIInChI=1S/C19H19NO3/c1-21-17-13-8-9-20-14-10-11-6-4-5-7-12(11)16(15(13)14)18(22-2)19(17)23-3/h4-7,10,20H,8-9H2,1-3H3
InChIKeyNJRGHAUIWZLFMD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.99
Rot. Bonds3

About 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene

14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene (PubChem CID 11392715) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene.

Molecular Properties

Compound Name14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
PubChem CID11392715
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
SMILESCOc1c(OC)c(OC)c2c3c(cc4ccccc42)NCCc13
InChIInChI=1S/C19H19NO3/c1-21-17-13-8-9-20-14-10-11-6-4-5-7-12(11)16(15(13)14)18(22-2)19(17)23-3/h4-7,10,20H,8-9H2,1-3H3
InChIKeyNJRGHAUIWZLFMD-UHFFFAOYSA-N
XLogP3.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene?
The IUPAC name of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene (CID 11392715) is 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene.
What is the SMILES notation for 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene?
The canonical SMILES for 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene is COc1c(OC)c(OC)c2c3c(cc4ccccc42)NCCc13.
What is the InChIKey of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene?
The InChIKey is NJRGHAUIWZLFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-21-17-13-8-9-20-14-10-11-6-4-5-7-12(11)16(15(13)14)18(22-2)19(17)23-3/h4-7,10,20H,8-9H2,1-3H3.
What are the key properties of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene?
14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene has a molecular weight of 309.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaene is sourced from PubChem (CID 11392715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).