6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one

C17H14N2O — CID 23336495

IUPAC6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one
SMILESCCc1ccc(=O)n2c3c1NC=Cc3c1ccccc12
InChIInChI=1S/C17H14N2O/c1-2-11-7-8-15(20)19-14-6-4-3-5-12(14)13-9-10-18-16(11)17(13)19/h3-10,18H,2H2,1H3
InChIKeyLZOUKYUCPKHJGB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds1

About 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one

6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one (PubChem CID 23336495) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one.

Molecular Properties

Compound Name6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one
PubChem CID23336495
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one
SMILESCCc1ccc(=O)n2c3c1NC=Cc3c1ccccc12
InChIInChI=1S/C17H14N2O/c1-2-11-7-8-15(20)19-14-6-4-3-5-12(14)13-9-10-18-16(11)17(13)19/h3-10,18H,2H2,1H3
InChIKeyLZOUKYUCPKHJGB-UHFFFAOYSA-N
XLogP3.41
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one?
The IUPAC name of 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one (CID 23336495) is 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one.
What is the SMILES notation for 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one?
The canonical SMILES for 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one is CCc1ccc(=O)n2c3c1NC=Cc3c1ccccc12.
What is the InChIKey of 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one?
The InChIKey is LZOUKYUCPKHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-11-7-8-15(20)19-14-6-4-3-5-12(14)13-9-10-18-16(11)17(13)19/h3-10,18H,2H2,1H3.
What are the key properties of 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one?
6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one has a molecular weight of 262.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,5,7,11,13,15-heptaen-9-one is sourced from PubChem (CID 23336495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).