14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

C25H21NO3 — CID 25264898

IUPAC14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4ccccc4c3c1OC)N(CCc1ccccc1)C2=O
InChIInChI=1S/C25H21NO3/c1-28-21-15-19-22-20(26(25(19)27)13-12-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)23(22)24(21)29-2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyVEEKPRMQNBUOSG-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.21
Rot. Bonds5

About 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (PubChem CID 25264898) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.

Molecular Properties

Compound Name14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
PubChem CID25264898
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4ccccc4c3c1OC)N(CCc1ccccc1)C2=O
InChIInChI=1S/C25H21NO3/c1-28-21-15-19-22-20(26(25(19)27)13-12-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)23(22)24(21)29-2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyVEEKPRMQNBUOSG-UHFFFAOYSA-N
XLogP5.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The IUPAC name of 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (CID 25264898) is 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.
What is the SMILES notation for 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The canonical SMILES for 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is COc1cc2c3c(cc4ccccc4c3c1OC)N(CCc1ccccc1)C2=O.
What is the InChIKey of 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The InChIKey is VEEKPRMQNBUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-28-21-15-19-22-20(26(25(19)27)13-12-16-8-4-3-5-9-16)14-17-10-6-7-11-18(17)23(22)24(21)29-2/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one has a molecular weight of 383.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dimethoxy-10-(2-phenylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is sourced from PubChem (CID 25264898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).