(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione

C29H24N4O4 — CID 91571638

IUPAC(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc6nc(C)ccc6c5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C29H24N4O4/c1-17-3-4-20-13-19(8-12-25(20)30-17)18-5-9-22(10-6-18)29(27(35)31-28(36)32-29)16-33-15-21-7-11-23(37-2)14-24(21)26(33)34/h3-15,34H,16H2,1-2H3,(H2,31,32,35,36)/t29-/m0/s1
InChIKeyIROULUGOFCWYBM-LJAQVGFWSA-N
MW492.54 g/mol
LogP4.61
Rot. Bonds5

About (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91571638) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
PubChem CID91571638
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc6nc(C)ccc6c5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C29H24N4O4/c1-17-3-4-20-13-19(8-12-25(20)30-17)18-5-9-22(10-6-18)29(27(35)31-28(36)32-29)16-33-15-21-7-11-23(37-2)14-24(21)26(33)34/h3-15,34H,16H2,1-2H3,(H2,31,32,35,36)/t29-/m0/s1
InChIKeyIROULUGOFCWYBM-LJAQVGFWSA-N
XLogP4.61
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90923035
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001
(5S)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-(4-naphthalen-2-ylphenyl)imidazolidine-2,4-dione
CID 91458353
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione (CID 91571638) is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4ccc(-c5ccc6nc(C)ccc6c5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is IROULUGOFCWYBM-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-17-3-4-20-13-19(8-12-25(20)30-17)18-5-9-22(10-6-18)29(27(35)31-28(36)32-29)16-33-15-21-7-11-23(37-2)14-24(21)26(33)34/h3-15,34H,16H2,1-2H3,(H2,31,32,35,36)/t29-/m0/s1.
What are the key properties of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 492.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91571638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).