1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione

C18H14N2O5 — CID 140833786

IUPAC1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione
SMILESCC1(c2ccnc3ccccc23)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C18H14N2O5/c1-18(11-8-9-19-12-5-3-2-4-10(11)12)16(24)15(23)17(25-18)20-13(21)6-7-14(20)22/h2-5,8-9,23H,6-7H2,1H3
InChIKeyAICKQQCDNNJRAU-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.93
Rot. Bonds2

About 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione

1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione (PubChem CID 140833786) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione
PubChem CID140833786
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione
SMILESCC1(c2ccnc3ccccc23)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C18H14N2O5/c1-18(11-8-9-19-12-5-3-2-4-10(11)12)16(24)15(23)17(25-18)20-13(21)6-7-14(20)22/h2-5,8-9,23H,6-7H2,1H3
InChIKeyAICKQQCDNNJRAU-UHFFFAOYSA-N
XLogP1.93
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

5-amino-4-hydroxy-2-methyl-2-quinolin-4-ylfuran-3-one
CID 90081981
(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)carbamic acid
CID 151957017
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)benzamide
CID 140833545
1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
CID 140834438
methyl 1-quinolin-4-ylcyclopropane-1-carboxylate
CID 116985439
(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
CID 154753164
methyl 2-quinolin-4-yloxyacetate
CID 151479480
2-propyl-1-quinolin-4-ylcyclopropan-1-ol
CID 79333301
1-quinolin-4-ylpiperidin-4-one
CID 22000285
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 79231197
[5-(3,4-difluorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834109

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione (CID 140833786) is 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione is CC1(c2ccnc3ccccc23)OC(N2C(=O)CCC2=O)=C(O)C1=O.
What is the InChIKey of 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione?
The InChIKey is AICKQQCDNNJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-18(11-8-9-19-12-5-3-2-4-10(11)12)16(24)15(23)17(25-18)20-13(21)6-7-14(20)22/h2-5,8-9,23H,6-7H2,1H3.
What are the key properties of 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione?
1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione has a molecular weight of 338.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 140833786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).