1-(2-Chloroethyl)-3-(2-methylquinolin-4-yl)urea

HCID 2344366

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(NC(=O)NCCCl)c2ccccc2n1
InChIKey: KDQTVKCVJSCFKG-UHFFFAOYSA-N
Molecular formula: C13H14ClN3O
Average molar mass: 263.72 g/mol

Names & identifiers

Preferred name: 1-(2-Chloroethyl)-3-(2-methylquinolin-4-yl)urea
IUPAC: 1-(2-chloroethyl)-3-(2-methylquinolin-4-yl)urea

Names & synonyms

379717-10-91-(2-chloroethyl)-3-(2-methylquinolin-4-yl)urea1-(2-chloro-ethyl)-3-(2-methylquinolin-4-yl)-ureaSCHEMBL4853400KDQTVKCVJSCFKG-UHFFFAOYSA-NAKOS030658691DB-3284041-(2-chloroethyl)-3-(2-methyl-quinol-4-yl)-urea1-(2-chloroethyl)-3-(2-methylquinolin-4-yl)-ureaZ552956381-(2-Chloro-ethyl)-3-(2-methyl-quinolin-4-yl)-urea

Database identifiers

PubChem CID: 2344366

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 54 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 287

Related reactions

18 records

New reaction record

HRID 176549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 178311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 296993As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 297612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 302769As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 313143As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 684610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2155992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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