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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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).