5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one

C22H28N4O3 — CID 139526801

IUPAC5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1=O
InChIInChI=1S/C22H28N4O3/c1-23-12-17(6-7-21(23)28)13-25-10-11-26(22(25)29)16-20(27)15-24-9-8-18-4-2-3-5-19(18)14-24/h2-7,12,20,27H,8-11,13-16H2,1H3
InChIKeyMLZYERGERKTFGI-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.04
Rot. Bonds6

About 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one

5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 139526801) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID139526801
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1=O
InChIInChI=1S/C22H28N4O3/c1-23-12-17(6-7-21(23)28)13-25-10-11-26(22(25)29)16-20(27)15-24-9-8-18-4-2-3-5-19(18)14-24/h2-7,12,20,27H,8-11,13-16H2,1H3
InChIKeyMLZYERGERKTFGI-UHFFFAOYSA-N
XLogP1.04
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-acetyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684722
2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-oxo-1H-pyridine-4-carboxamide
CID 118554039
US11365205, Example 81
CID 139511485
US11365205, Example 15
CID 139513118
US11365205, Example 80
CID 139513171
US11365205, Example 47
CID 139513285
US11365205, Example 16
CID 139526830
US11365205, Example 5
CID 139526838
US11365205, Example 37
CID 139526986
US11365205, Example 2
CID 139526990
US11365205, Example 18
CID 139527009
US11365205, Example 20
CID 139527011

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one (CID 139526801) is 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)ccc1=O.
What is the InChIKey of 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is MLZYERGERKTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-23-12-17(6-7-21(23)28)13-25-10-11-26(22(25)29)16-20(27)15-24-9-8-18-4-2-3-5-19(18)14-24/h2-7,12,20,27H,8-11,13-16H2,1H3.
What are the key properties of 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 396.49 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 139526801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).