2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

C18H24N4O3 — CID 75306140

IUPAC2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2Cc3ccccc3C2)N1
InChIInChI=1S/C18H24N4O3/c23-17-10-16(21-5-7-25-8-6-21)19-15(20-17)9-18(24)22-11-13-3-1-2-4-14(13)12-22/h1-4,15-16,19H,5-12H2,(H,20,23)
InChIKeyOAHQBXGPAQDIJG-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.01
Rot. Bonds3

About 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 75306140) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID75306140
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2Cc3ccccc3C2)N1
InChIInChI=1S/C18H24N4O3/c23-17-10-16(21-5-7-25-8-6-21)19-15(20-17)9-18(24)22-11-13-3-1-2-4-14(13)12-22/h1-4,15-16,19H,5-12H2,(H,20,23)
InChIKeyOAHQBXGPAQDIJG-UHFFFAOYSA-N
XLogP0.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2-ethoxyacetyl)amino]hexyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510255
N-[7-[benzyl(3-morpholin-4-ylpropyl)amino]-7-oxoheptyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510389
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
US11179399, Example 14
CID 163200006
US11179399, Example 14_1
CID 163200007
US11179399, Example 14_2
CID 163200008
US11685734, Example 193
CID 168474589
US11685734, Example 253
CID 168474616
US11685734, Example 259
CID 168474620
US11685734, Example 319
CID 168474641

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 75306140) is 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2Cc3ccccc3C2)N1.
What is the InChIKey of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is OAHQBXGPAQDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17-10-16(21-5-7-25-8-6-21)19-15(20-17)9-18(24)22-11-13-3-1-2-4-14(13)12-22/h1-4,15-16,19H,5-12H2,(H,20,23).
What are the key properties of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 344.42 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 75306140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).