2-Chloro-N-(1-cyclohexylpyrrolidin-3-yl)quinoline-4-carboxamide

HCID 20355405

Notes Reactions

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Basic information

CAS: 60691-45-4
Standard SMILES: O=C(NC1CCN(C2CCCCC2)C1)c1cc(Cl)nc2ccccc12
InChIKey: OHQRETGYTHWFBJ-UHFFFAOYSA-N
Molecular formula: C20H24ClN3O
Average molar mass: 357.9 g/mol
Monoisotopic mass: 357.16079007

Names & identifiers

Preferred name: 2-Chloro-N-(1-cyclohexylpyrrolidin-3-yl)quinoline-4-carboxamide
IUPAC: 2-chloro-N-(1-cyclohexylpyrrolidin-3-yl)quinoline-4-carboxamide

Names & synonyms

2-Chloro-N-(1-cyclohexylpyrrolidin-3-yl)quinoline-4-carboxamide60691-45-4SCHEMBL11607710DTXSID20605879OHQRETGYTHWFBJ-UHFFFAOYSA-N2-chloro-N-(1-cyclohexyl-3-pyrrolidinyl)-4-quinolinecarboxamideN-(1-Cyclohexyl-3-pyrrolidinyl)-2-chloro-4-quinoline-carboxamideN-(1-Cyclohexyl-3-pyrrolidinyl)-2-chloro-4-quinolinecarboxamide

Database identifiers

CAS: 60691-45-4
PubChem CID: 20355405
DTXSID: DTXSID20605879

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 468

Related reactions

5 records

New reaction record

HRID 371616As productuspto-grants-1978_05

HRID 441405As productuspto-grants-1977_08

HRID 616254As productuspto-grants-1978_02

HRID 1414880As productuspto-grants-1977_01

HRID 1564719As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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