7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one

C19H25N7O — CID 22757474

IUPAC7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
SMILESCCN(CC)CCn1c(=O)c2cnc3c(c(C)nn3C)c2n2nc(C)cc12
InChIInChI=1S/C19H25N7O/c1-6-24(7-2)8-9-25-15-10-12(3)21-26(15)17-14(19(25)27)11-20-18-16(17)13(4)22-23(18)5/h10-11H,6-9H2,1-5H3
InChIKeyLBNKIHHMIITQOI-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.89
Rot. Bonds5

About 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one

7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one (PubChem CID 22757474) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
PubChem CID22757474
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
SMILESCCN(CC)CCn1c(=O)c2cnc3c(c(C)nn3C)c2n2nc(C)cc12
InChIInChI=1S/C19H25N7O/c1-6-24(7-2)8-9-25-15-10-12(3)21-26(15)17-14(19(25)27)11-20-18-16(17)13(4)22-23(18)5/h10-11H,6-9H2,1-5H3
InChIKeyLBNKIHHMIITQOI-UHFFFAOYSA-N
XLogP1.89
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The IUPAC name of 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one (CID 22757474) is 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one.
What is the SMILES notation for 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The canonical SMILES for 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one is CCN(CC)CCn1c(=O)c2cnc3c(c(C)nn3C)c2n2nc(C)cc12.
What is the InChIKey of 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The InChIKey is LBNKIHHMIITQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-6-24(7-2)8-9-25-15-10-12(3)21-26(15)17-14(19(25)27)11-20-18-16(17)13(4)22-23(18)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one has a molecular weight of 367.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethyl]-4,13,15-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one is sourced from PubChem (CID 22757474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).