5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

C27H20N4O4 — CID 11510993

IUPAC5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1
InChIInChI=1S/C27H20N4O4/c32-20-11-8-18-14-31(24(33)22(18)13-20)15-27(25(34)29-26(35)30-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-28-23(17)21/h1-13,32H,14-15H2,(H2,29,30,34,35)
InChIKeyQGJHWHHTUSBYEW-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.30
Rot. Bonds4

About 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione

5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (PubChem CID 11510993) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
PubChem CID11510993
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC Name5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1
InChIInChI=1S/C27H20N4O4/c32-20-11-8-18-14-31(24(33)22(18)13-20)15-27(25(34)29-26(35)30-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-28-23(17)21/h1-13,32H,14-15H2,(H2,29,30,34,35)
InChIKeyQGJHWHHTUSBYEW-UHFFFAOYSA-N
XLogP3.30
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
S-16020
CID 177330
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-methylpyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 46933694
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
(R)-5-((4-(3-hydroxypyridin-2-yl)phenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941250
(3R)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-phenylprop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 71605588
(3S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-phenylprop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 71605755
2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-[[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 118731881
N-[2-(dimethylamino)ethyl]-6-ethyl-9-hydroxy-5-methylpyrido[4,3-b]carbazole-1-carboxamide
CID 10023296
N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 10045078
N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 10249816

Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione (CID 11510993) is 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(O)cc3C2=O)(c2ccc(-c3cccc4cccnc34)cc2)N1.
What is the InChIKey of 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is QGJHWHHTUSBYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4/c32-20-11-8-18-14-31(24(33)22(18)13-20)15-27(25(34)29-26(35)30-27)19-9-6-16(7-10-19)21-5-1-3-17-4-2-12-28-23(17)21/h1-13,32H,14-15H2,(H2,29,30,34,35).
What are the key properties of 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione?
5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 464.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11510993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).