(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione

C100H82N16O20 — CID 158605682

IUPAC(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccc5cnccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H22N4O5.3C24H20N4O5/c1-36-22-6-3-19-15-32(25(33)24(19)13-22)16-28(26(34)30-27(35)31-28)20-4-8-21(9-5-20)37-23-7-2-18-14-29-11-10-17(18)12-23;2*1-32-18-7-4-15-13-28(21(29)20(15)11-18)14-24(22(30)26-23(31)27-24)16-5-8-17(9-6-16)33-19-3-2-10-25-12-19;1-32-18-8-5-15-13-28(21(29)19(15)12-18)14-24(22(30)26-23(31)27-24)16-6-9-17(10-7-16)33-20-4-2-3-11-25-20/h2-14H,15-16H2,1H3,(H2,30,31,34,35);3*2-12H,13-14H2,1H3,(H2,26,27,30,31)/t28-;24-;;24-/m00.0/s1
InChIKeyHWEOLFDDFRGJGO-FBMMNINLSA-N
MW1827.85 g/mol
LogP11.45
Rot. Bonds24

About (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione

(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 158605682) has the molecular formula C100H82N16O20 and a molecular weight of 1827.85 g/mol. Its IUPAC name is (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID158605682
Molecular FormulaC100H82N16O20
Molecular Weight1827.85 g/mol
Exact Mass1826.59
IUPAC Name(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccc5cnccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H22N4O5.3C24H20N4O5/c1-36-22-6-3-19-15-32(25(33)24(19)13-22)16-28(26(34)30-27(35)31-28)20-4-8-21(9-5-20)37-23-7-2-18-14-29-11-10-17(18)12-23;2*1-32-18-7-4-15-13-28(21(29)20(15)11-18)14-24(22(30)26-23(31)27-24)16-5-8-17(9-6-16)33-19-3-2-10-25-12-19;1-32-18-8-5-15-13-28(21(29)19(15)12-18)14-24(22(30)26-23(31)27-24)16-6-9-17(10-7-16)33-20-4-2-3-11-25-20/h2-14H,15-16H2,1H3,(H2,30,31,34,35);3*2-12H,13-14H2,1H3,(H2,26,27,30,31)/t28-;24-;;24-/m00.0/s1
InChIKeyHWEOLFDDFRGJGO-FBMMNINLSA-N
XLogP11.45
TPSA439.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001827.85
LogP ≤ 511.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione (CID 158605682) is (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccc5cnccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4cccnc4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is HWEOLFDDFRGJGO-FBMMNINLSA-N. The full InChI is InChI=1S/C28H22N4O5.3C24H20N4O5/c1-36-22-6-3-19-15-32(25(33)24(19)13-22)16-28(26(34)30-27(35)31-28)20-4-8-21(9-5-20)37-23-7-2-18-14-29-11-10-17(18)12-23;2*1-32-18-7-4-15-13-28(21(29)20(15)11-18)14-24(22(30)26-23(31)27-24)16-5-8-17(9-6-16)33-19-3-2-10-25-12-19;1-32-18-8-5-15-13-28(21(29)19(15)12-18)14-24(22(30)26-23(31)27-24)16-6-9-17(10-7-16)33-20-4-2-3-11-25-20/h2-14H,15-16H2,1H3,(H2,30,31,34,35);3*2-12H,13-14H2,1H3,(H2,26,27,30,31)/t28-;24-;;24-/m00.0/s1.
What are the key properties of (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione?
(5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 1827.85 g/mol, XLogP of 11.45, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-isoquinolin-6-yloxyphenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-yloxyphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158605682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).