9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one

C18H20N4O4 — CID 20884799

IUPAC9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCOc1cccc2c1cc1c(=O)n(CC(=O)N3CCOCC3)nc(C)n12
InChIInChI=1S/C18H20N4O4/c1-12-19-21(11-17(23)20-6-8-26-9-7-20)18(24)15-10-13-14(22(12)15)4-3-5-16(13)25-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyOPRGZQWGVRLTCZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.83
Rot. Bonds3

About 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one

9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one (PubChem CID 20884799) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one.

Molecular Properties

Compound Name9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one
PubChem CID20884799
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCOc1cccc2c1cc1c(=O)n(CC(=O)N3CCOCC3)nc(C)n12
InChIInChI=1S/C18H20N4O4/c1-12-19-21(11-17(23)20-6-8-26-9-7-20)18(24)15-10-13-14(22(12)15)4-3-5-16(13)25-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyOPRGZQWGVRLTCZ-UHFFFAOYSA-N
XLogP0.83
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one?
The IUPAC name of 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one (CID 20884799) is 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one.
What is the SMILES notation for 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one?
The canonical SMILES for 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one is COc1cccc2c1cc1c(=O)n(CC(=O)N3CCOCC3)nc(C)n12.
What is the InChIKey of 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one?
The InChIKey is OPRGZQWGVRLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-19-21(11-17(23)20-6-8-26-9-7-20)18(24)15-10-13-14(22(12)15)4-3-5-16(13)25-2/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one?
9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one has a molecular weight of 356.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazino[4,5-a]indol-1-one is sourced from PubChem (CID 20884799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).