19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one

C20H24N2O — CID 663575

IUPAC19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one
SMILESCCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C20H24N2O/c1-3-20(2)13-14-9-6-7-10-15(14)18-17(20)19(23)22-12-8-4-5-11-16(22)21-18/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeySSFGXJUQSGGKBG-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.86
Rot. Bonds1

About 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one

19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one (PubChem CID 663575) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one.

Molecular Properties

Compound Name19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one
PubChem CID663575
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one
SMILESCCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C20H24N2O/c1-3-20(2)13-14-9-6-7-10-15(14)18-17(20)19(23)22-12-8-4-5-11-16(22)21-18/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeySSFGXJUQSGGKBG-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one?
The IUPAC name of 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one (CID 663575) is 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one.
What is the SMILES notation for 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one?
The canonical SMILES for 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one is CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3.
What is the InChIKey of 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one?
The InChIKey is SSFGXJUQSGGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-20(2)13-14-9-6-7-10-15(14)18-17(20)19(23)22-12-8-4-5-11-16(22)21-18/h6-7,9-10H,3-5,8,11-13H2,1-2H3.
What are the key properties of 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one?
19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one has a molecular weight of 308.42 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethyl-19-methyl-3,10-diazatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),9,12,14,16-pentaen-2-one is sourced from PubChem (CID 663575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).