1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C14H14N2O4 — CID 60839788

IUPAC1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C1CC(N2CCCc3c(C(=O)O)cccc32)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-12-7-11(13(18)15-12)16-6-2-4-8-9(14(19)20)3-1-5-10(8)16/h1,3,5,11H,2,4,6-7H2,(H,19,20)(H,15,17,18)
InChIKeyJFKPZLNWFAORCR-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.55
Rot. Bonds2

About 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60839788) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60839788
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C1CC(N2CCCc3c(C(=O)O)cccc32)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-12-7-11(13(18)15-12)16-6-2-4-8-9(14(19)20)3-1-5-10(8)16/h1,3,5,11H,2,4,6-7H2,(H,19,20)(H,15,17,18)
InChIKeyJFKPZLNWFAORCR-UHFFFAOYSA-N
XLogP0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839789
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
CID 170437367
1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65057227
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 114080266
1-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 64611406
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
CID 112577448
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60839788) is 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C1CC(N2CCCc3c(C(=O)O)cccc32)C(=O)N1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is JFKPZLNWFAORCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12-7-11(13(18)15-12)16-6-2-4-8-9(14(19)20)3-1-5-10(8)16/h1,3,5,11H,2,4,6-7H2,(H,19,20)(H,15,17,18).
What are the key properties of 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60839788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).