4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

C19H24N4O2 — CID 118262613

IUPAC4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCCN1CCc2c(c3ccc(N4CC5(CC(O)C5)C4)nc3n2C)C1=O
InChIInChI=1S/C19H24N4O2/c1-3-22-7-6-14-16(18(22)25)13-4-5-15(20-17(13)21(14)2)23-10-19(11-23)8-12(24)9-19/h4-5,12,24H,3,6-11H2,1-2H3
InChIKeyMBUQIWFCBXHLCD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.55
Rot. Bonds2

About 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (PubChem CID 118262613) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.

Molecular Properties

Compound Name4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
PubChem CID118262613
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCCN1CCc2c(c3ccc(N4CC5(CC(O)C5)C4)nc3n2C)C1=O
InChIInChI=1S/C19H24N4O2/c1-3-22-7-6-14-16(18(22)25)13-4-5-15(20-17(13)21(14)2)23-10-19(11-23)8-12(24)9-19/h4-5,12,24H,3,6-11H2,1-2H3
InChIKeyMBUQIWFCBXHLCD-UHFFFAOYSA-N
XLogP1.55
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The IUPAC name of 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (CID 118262613) is 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.
What is the SMILES notation for 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The canonical SMILES for 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is CCN1CCc2c(c3ccc(N4CC5(CC(O)C5)C4)nc3n2C)C1=O.
What is the InChIKey of 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The InChIKey is MBUQIWFCBXHLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-22-7-6-14-16(18(22)25)13-4-5-15(20-17(13)21(14)2)23-10-19(11-23)8-12(24)9-19/h4-5,12,24H,3,6-11H2,1-2H3.
What are the key properties of 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-11-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is sourced from PubChem (CID 118262613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).