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

C19H26N4O3 — CID 75306072

IUPAC2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3ccccc3C2)N1
InChIInChI=1S/C19H26N4O3/c24-18-12-17(22-7-9-26-10-8-22)20-16(21-18)11-19(25)23-6-5-14-3-1-2-4-15(14)13-23/h1-4,16-17,20H,5-13H2,(H,21,24)
InChIKeyZADHJOQANQSLDI-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.06
Rot. Bonds3

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

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 75306072) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID75306072
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3ccccc3C2)N1
InChIInChI=1S/C19H26N4O3/c24-18-12-17(22-7-9-26-10-8-22)20-16(21-18)11-19(25)23-6-5-14-3-1-2-4-15(14)13-23/h1-4,16-17,20H,5-13H2,(H,21,24)
InChIKeyZADHJOQANQSLDI-UHFFFAOYSA-N
XLogP0.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
N-[1-(Morpholine-4-carbonyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 655255
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
CID 32718395
2-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
CID 75306140
US11485731, Example 1AY
CID 142428202
US11485731, Example 1AX
CID 142428223
US11485731, Example 1O
CID 142428302
US11485731, Example 1I
CID 142428303
US11485731, Example 1AL
CID 142428371
US11179399, Example 1
CID 163199988
US11179399, Example 3
CID 163199989
US11179399, Example 4
CID 163199990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 75306072) is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3ccccc3C2)N1.
What is the InChIKey of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is ZADHJOQANQSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-18-12-17(22-7-9-26-10-8-22)20-16(21-18)11-19(25)23-6-5-14-3-1-2-4-15(14)13-23/h1-4,16-17,20H,5-13H2,(H,21,24).
What are the key properties of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 75306072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).