5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione

C22H19FN4O3 — CID 71167416

IUPAC5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione
SMILESCC1(O)c2cc(F)ccc2CN1CC1(c2ccc3cccnc3c2)NC(=O)NC1=O
InChIInChI=1S/C22H19FN4O3/c1-21(30)17-10-16(23)7-5-14(17)11-27(21)12-22(19(28)25-20(29)26-22)15-6-4-13-3-2-8-24-18(13)9-15/h2-10,30H,11-12H2,1H3,(H2,25,26,28,29)
InChIKeyXGHPBZYJGJXNMU-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.09
Rot. Bonds3

About 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione

5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione (PubChem CID 71167416) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione
PubChem CID71167416
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione
SMILESCC1(O)c2cc(F)ccc2CN1CC1(c2ccc3cccnc3c2)NC(=O)NC1=O
InChIInChI=1S/C22H19FN4O3/c1-21(30)17-10-16(23)7-5-14(17)11-27(21)12-22(19(28)25-20(29)26-22)15-6-4-13-3-2-8-24-18(13)9-15/h2-10,30H,11-12H2,1H3,(H2,25,26,28,29)
InChIKeyXGHPBZYJGJXNMU-UHFFFAOYSA-N
XLogP2.09
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.09
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-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione (CID 71167416) is 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione is CC1(O)c2cc(F)ccc2CN1CC1(c2ccc3cccnc3c2)NC(=O)NC1=O.
What is the InChIKey of 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione?
The InChIKey is XGHPBZYJGJXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-21(30)17-10-16(23)7-5-14(17)11-27(21)12-22(19(28)25-20(29)26-22)15-6-4-13-3-2-8-24-18(13)9-15/h2-10,30H,11-12H2,1H3,(H2,25,26,28,29).
What are the key properties of 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione?
5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione has a molecular weight of 406.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-hydroxy-3-methyl-1H-isoindol-2-yl)methyl]-5-quinolin-7-ylimidazolidine-2,4-dione is sourced from PubChem (CID 71167416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).