14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one

C17H14N2O — CID 72710498

IUPAC14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one
SMILESCCN1Cc2nc3c(ccc4ccccc43)cc2C1=O
InChIInChI=1S/C17H14N2O/c1-2-19-10-15-14(17(19)20)9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-9H,2,10H2,1H3
InChIKeyJGIHZNJYYWJQHH-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.36
Rot. Bonds1

About 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one

14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one (PubChem CID 72710498) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one.

Molecular Properties

Compound Name14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one
PubChem CID72710498
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one
SMILESCCN1Cc2nc3c(ccc4ccccc43)cc2C1=O
InChIInChI=1S/C17H14N2O/c1-2-19-10-15-14(17(19)20)9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-9H,2,10H2,1H3
InChIKeyJGIHZNJYYWJQHH-UHFFFAOYSA-N
XLogP3.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one?
The IUPAC name of 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one (CID 72710498) is 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one.
What is the SMILES notation for 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one?
The canonical SMILES for 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one is CCN1Cc2nc3c(ccc4ccccc43)cc2C1=O.
What is the InChIKey of 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one?
The InChIKey is JGIHZNJYYWJQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-19-10-15-14(17(19)20)9-12-8-7-11-5-3-4-6-13(11)16(12)18-15/h3-9H,2,10H2,1H3.
What are the key properties of 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one?
14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one has a molecular weight of 262.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,10,12(16)-heptaen-13-one is sourced from PubChem (CID 72710498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).