3-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2(1H)-one

HCID 59620330

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O
InChIKey: JSVGVBIHBPJMDA-UHFFFAOYSA-N
Molecular formula: C18H19N3O2S
Average molar mass: 341.4 g/mol

Names & identifiers

Preferred name: 3-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2(1H)-one
IUPAC: 3-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2-one

Names & synonyms

SCHEMBL2837098JSVGVBIHBPJMDA-UHFFFAOYSA-N3-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2(1H)-one(-)-3-amino-8-(2-oxopyrrolidin-1-yl)-1-(thiophen-3-ylmethyl)-3,4-dihydroquinolin-2(1H)-one

Database identifiers

PubChem CID: 59620330

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 514

Related reactions

38 records

New reaction record

HRID 110516As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 172205As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 186831As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 685375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 690697As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 696879As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 831570As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 955686As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…