4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one

C17H20N2O — CID 23336496

IUPAC4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
SMILESCCN1CCc2c3n(c4ccccc24)C(=O)CCCC31
InChIInChI=1S/C17H20N2O/c1-2-18-11-10-13-12-6-3-4-7-14(12)19-16(20)9-5-8-15(18)17(13)19/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyDLBSBYQWDNVMAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds1

About 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one

4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one (PubChem CID 23336496) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.

Molecular Properties

Compound Name4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
PubChem CID23336496
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
SMILESCCN1CCc2c3n(c4ccccc24)C(=O)CCCC31
InChIInChI=1S/C17H20N2O/c1-2-18-11-10-13-12-6-3-4-7-14(12)19-16(20)9-5-8-15(18)17(13)19/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyDLBSBYQWDNVMAV-UHFFFAOYSA-N
XLogP3.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The IUPAC name of 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one (CID 23336496) is 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.
What is the SMILES notation for 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The canonical SMILES for 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one is CCN1CCc2c3n(c4ccccc24)C(=O)CCCC31.
What is the InChIKey of 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
The InChIKey is DLBSBYQWDNVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-18-11-10-13-12-6-3-4-7-14(12)19-16(20)9-5-8-15(18)17(13)19/h3-4,6-7,15H,2,5,8-11H2,1H3.
What are the key properties of 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one?
4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one has a molecular weight of 268.36 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one is sourced from PubChem (CID 23336496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).