1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one

C24H30N4O2 — CID 139513116

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one
SMILESC=C(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
InChIInChI=1S/C24H30N4O2/c1-18(2)23-8-7-19(13-25-23)14-27-11-12-28(24(27)30)17-22(29)16-26-10-9-20-5-3-4-6-21(20)15-26/h3-8,13,22,29H,1,9-12,14-17H2,2H3
InChIKeyGSYMIZCPPWKOMJ-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.77
Rot. Bonds7

About 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 139513116) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one
PubChem CID139513116
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one
SMILESC=C(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
InChIInChI=1S/C24H30N4O2/c1-18(2)23-8-7-19(13-25-23)14-27-11-12-28(24(27)30)17-22(29)16-26-10-9-20-5-3-4-6-21(20)15-26/h3-8,13,22,29H,1,9-12,14-17H2,2H3
InChIKeyGSYMIZCPPWKOMJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379537
US11365205, Example 98
CID 139512959
1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 139519909
US11365205, Example 62
CID 139526855
US11365205, Example 40
CID 139526962
US11365205, Example 56
CID 139527077
US11365205, Example 65
CID 139527159
US11365205, Example 77
CID 139527166
US11365205, Example 58
CID 149212262
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[3-fluoro-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 166637170
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 76684726
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 76684825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one (CID 139513116) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one is C=C(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cn1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is GSYMIZCPPWKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)23-8-7-19(13-25-23)14-27-11-12-28(24(27)30)17-22(29)16-26-10-9-20-5-3-4-6-21(20)15-26/h3-8,13,22,29H,1,9-12,14-17H2,2H3.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139513116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).