5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one

C17H19N7O — CID 164782537

IUPAC5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
SMILESCNc1cc2nc3c(cnn13)C(=O)NCCCc1cc(C)cc(n1)N2
InChIInChI=1S/C17H19N7O/c1-10-6-11-4-3-5-19-17(25)12-9-20-24-15(18-2)8-14(23-16(12)24)22-13(7-10)21-11/h6-9,18H,3-5H2,1-2H3,(H,19,25)(H,21,22,23)
InChIKeySJSQOYDZDYJOPS-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.89
Rot. Bonds1

About 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one

5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one (PubChem CID 164782537) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one.

Molecular Properties

Compound Name5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
PubChem CID164782537
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
SMILESCNc1cc2nc3c(cnn13)C(=O)NCCCc1cc(C)cc(n1)N2
InChIInChI=1S/C17H19N7O/c1-10-6-11-4-3-5-19-17(25)12-9-20-24-15(18-2)8-14(23-16(12)24)22-13(7-10)21-11/h6-9,18H,3-5H2,1-2H3,(H,19,25)(H,21,22,23)
InChIKeySJSQOYDZDYJOPS-UHFFFAOYSA-N
XLogP1.89
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one?
The IUPAC name of 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one (CID 164782537) is 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one.
What is the SMILES notation for 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one?
The canonical SMILES for 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one is CNc1cc2nc3c(cnn13)C(=O)NCCCc1cc(C)cc(n1)N2.
What is the InChIKey of 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one?
The InChIKey is SJSQOYDZDYJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-10-6-11-4-3-5-19-17(25)12-9-20-24-15(18-2)8-14(23-16(12)24)22-13(7-10)21-11/h6-9,18H,3-5H2,1-2H3,(H,19,25)(H,21,22,23).
What are the key properties of 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one?
5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one has a molecular weight of 337.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one is sourced from PubChem (CID 164782537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).