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

C15H16N2O4 — CID 60839789

IUPAC1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1C(=O)CC(N2CCCc3c(C(=O)O)cccc32)C1=O
InChIInChI=1S/C15H16N2O4/c1-16-13(18)8-12(14(16)19)17-7-3-5-9-10(15(20)21)4-2-6-11(9)17/h2,4,6,12H,3,5,7-8H2,1H3,(H,20,21)
InChIKeyFHEBNTXOTXJESI-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.89
Rot. Bonds2

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

1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60839789) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60839789
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCN1C(=O)CC(N2CCCc3c(C(=O)O)cccc32)C1=O
InChIInChI=1S/C15H16N2O4/c1-16-13(18)8-12(14(16)19)17-7-3-5-9-10(15(20)21)4-2-6-11(9)17/h2,4,6,12H,3,5,7-8H2,1H3,(H,20,21)
InChIKeyFHEBNTXOTXJESI-UHFFFAOYSA-N
XLogP0.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60839789) is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is CN1C(=O)CC(N2CCCc3c(C(=O)O)cccc32)C1=O.
What is the InChIKey of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is FHEBNTXOTXJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-13(18)8-12(14(16)19)17-7-3-5-9-10(15(20)21)4-2-6-11(9)17/h2,4,6,12H,3,5,7-8H2,1H3,(H,20,21).
What are the key properties of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60839789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).