3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one

C16H16N4O3 — CID 135693208

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-14(19-5-7-23-8-6-19)10-20-16(22)15-12(9-17-20)11-3-1-2-4-13(11)18-15/h1-4,9,18H,5-8,10H2
InChIKeyIQLCHPPMDOMZDQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.74
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one

3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one (PubChem CID 135693208) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one
PubChem CID135693208
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-14(19-5-7-23-8-6-19)10-20-16(22)15-12(9-17-20)11-3-1-2-4-13(11)18-15/h1-4,9,18H,5-8,10H2
InChIKeyIQLCHPPMDOMZDQ-UHFFFAOYSA-N
XLogP0.74
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one (CID 135693208) is 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one is O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one?
The InChIKey is IQLCHPPMDOMZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-14(19-5-7-23-8-6-19)10-20-16(22)15-12(9-17-20)11-3-1-2-4-13(11)18-15/h1-4,9,18H,5-8,10H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one has a molecular weight of 312.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-5H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135693208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).