tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one

C117H144N16O10 — CID 161328542

IUPACtris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one
SMILESCc1ccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)cc1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.O=C1CN(c2cccc3cccnc23)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C25H28N4O2.4C23H29N3O2/c30-22(16-27-12-10-19-5-1-2-6-21(19)15-27)17-29-14-13-28(18-24(29)31)23-9-3-7-20-8-4-11-26-25(20)23;3*1-18-5-4-8-21(13-18)25-11-12-26(23(28)17-25)16-22(27)15-24-10-9-19-6-2-3-7-20(19)14-24;1-18-6-8-21(9-7-18)25-12-13-26(23(28)17-25)16-22(27)15-24-11-10-19-4-2-3-5-20(19)14-24/h1-9,11,22,30H,10,12-18H2;3*2-8,13,22,27H,9-12,14-17H2,1H3;2-9,22,27H,10-17H2,1H3
InChIKeyVLCINORECSKXMF-UHFFFAOYSA-N
MW1934.54 g/mol
LogP10.55
Rot. Bonds25

About tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one

tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one (PubChem CID 161328542) has the molecular formula C117H144N16O10 and a molecular weight of 1934.54 g/mol. Its IUPAC name is tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one.

Molecular Properties

Compound Nametris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one
PubChem CID161328542
Molecular FormulaC117H144N16O10
Molecular Weight1934.54 g/mol
Exact Mass1933.13
IUPAC Nametris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one
SMILESCc1ccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)cc1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.O=C1CN(c2cccc3cccnc23)CCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C25H28N4O2.4C23H29N3O2/c30-22(16-27-12-10-19-5-1-2-6-21(19)15-27)17-29-14-13-28(18-24(29)31)23-9-3-7-20-8-4-11-26-25(20)23;3*1-18-5-4-8-21(13-18)25-11-12-26(23(28)17-25)16-22(27)15-24-10-9-19-6-2-3-7-20(19)14-24;1-18-6-8-21(9-7-18)25-12-13-26(23(28)17-25)16-22(27)15-24-11-10-19-4-2-3-5-20(19)14-24/h1-9,11,22,30H,10,12-18H2;3*2-8,13,22,27H,9-12,14-17H2,1H3;2-9,22,27H,10-17H2,1H3
InChIKeyVLCINORECSKXMF-UHFFFAOYSA-N
XLogP10.55
TPSA247.99 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.54
LogP ≤ 510.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methylpiperazin-2-one
CID 76684826
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methyl-1-(2-methylpropyl)-4H-quinazolin-2-one
CID 170395380
(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 90241579
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-morpholin-4-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 174234040
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,5-dimethylphenoxy)propan-2-ol chloride
CID 21237529
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 878808
2-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3H-isoindol-1-one
CID 90307279
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(2-methoxy-4-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 139519931
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one
CID 156756726
2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3,4-dihydroisoquinolin-1-one
CID 164945226
methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate
CID 118653244

Frequently Asked Questions

What is the IUPAC name of tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one?
The IUPAC name of tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one (CID 161328542) is tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one.
What is the SMILES notation for tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one?
The canonical SMILES for tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one is Cc1ccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)cc1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.Cc1cccc(N2CCN(CC(O)CN3CCc4ccccc4C3)C(=O)C2)c1.O=C1CN(c2cccc3cccnc23)CCN1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one?
The InChIKey is VLCINORECSKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.4C23H29N3O2/c30-22(16-27-12-10-19-5-1-2-6-21(19)15-27)17-29-14-13-28(18-24(29)31)23-9-3-7-20-8-4-11-26-25(20)23;3*1-18-5-4-8-21(13-18)25-11-12-26(23(28)17-25)16-22(27)15-24-10-9-19-6-2-3-7-20(19)14-24;1-18-6-8-21(9-7-18)25-12-13-26(23(28)17-25)16-22(27)15-24-11-10-19-4-2-3-5-20(19)14-24/h1-9,11,22,30H,10,12-18H2;3*2-8,13,22,27H,9-12,14-17H2,1H3;2-9,22,27H,10-17H2,1H3.
What are the key properties of tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one?
tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one has a molecular weight of 1934.54 g/mol, XLogP of 10.55, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methylphenyl)piperazin-2-one);1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(4-methylphenyl)piperazin-2-one;1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one is sourced from PubChem (CID 161328542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).