(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate

C14H11N3O4 — CID 121232305

IUPAC(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2cccnc2c1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-4-3-9-2-1-7-15-11(9)8-10/h1-4,7-8H,5-6H2,(H,16,20)
InChIKeyYZBBIYGSFYGFHE-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.85
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate (PubChem CID 121232305) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate
PubChem CID121232305
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2cccnc2c1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-4-3-9-2-1-7-15-11(9)8-10/h1-4,7-8H,5-6H2,(H,16,20)
InChIKeyYZBBIYGSFYGFHE-UHFFFAOYSA-N
XLogP1.85
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate (CID 121232305) is (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate is O=C(Nc1ccc2cccnc2c1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate?
The InChIKey is YZBBIYGSFYGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-4-3-9-2-1-7-15-11(9)8-10/h1-4,7-8H,5-6H2,(H,16,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate has a molecular weight of 285.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate is sourced from PubChem (CID 121232305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).