13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

C20H20N2O — CID 123939143

IUPAC13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCCCc1ccc2c(ccc3[nH]c4c(CC)c[nH]c(=O)c4c32)c1
InChIInChI=1S/C20H20N2O/c1-3-5-12-6-8-15-14(10-12)7-9-16-17(15)18-19(22-16)13(4-2)11-21-20(18)23/h6-11,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyGSVJTZVUBCACHX-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.68
Rot. Bonds3

About 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (PubChem CID 123939143) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
PubChem CID123939143
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCCCc1ccc2c(ccc3[nH]c4c(CC)c[nH]c(=O)c4c32)c1
InChIInChI=1S/C20H20N2O/c1-3-5-12-6-8-15-14(10-12)7-9-16-17(15)18-19(22-16)13(4-2)11-21-20(18)23/h6-11,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyGSVJTZVUBCACHX-UHFFFAOYSA-N
XLogP4.68
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The IUPAC name of 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (CID 123939143) is 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The canonical SMILES for 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is CCCc1ccc2c(ccc3[nH]c4c(CC)c[nH]c(=O)c4c32)c1.
What is the InChIKey of 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The InChIKey is GSVJTZVUBCACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-5-12-6-8-15-14(10-12)7-9-16-17(15)18-19(22-16)13(4-2)11-21-20(18)23/h6-11,22H,3-5H2,1-2H3,(H,21,23).
What are the key properties of 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one has a molecular weight of 304.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-5-propyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 123939143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).