(s)-3-(5-Chloroindole-2-carbonylamino)-1-methyl-3,4-dihydrocarbostyril

HCID 44357937

Notes Reactions

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Basic information

Standard SMILES: CN1C(=O)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
InChIKey: CZLGMTLJVJLVSI-INIZCTEOSA-N
Molecular formula: C19H16ClN3O2
Average molar mass: 353.8 g/mol

Names & identifiers

Preferred name: (s)-3-(5-Chloroindole-2-carbonylamino)-1-methyl-3,4-dihydrocarbostyril
IUPAC: 5-chloro-N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

Names & synonyms

CHEMBL337012SCHEMBL4801096CZLGMTLJVJLVSI-INIZCTEOSA-NBDBM50136428(s)-3-(5-chloroindole-2-carbonylamino)-1-methyl-3,4-dihydrocarbostyril5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-amide

Database identifiers

PubChem CID: 44357937
ChEMBL: CHEMBL337012
Nikkaji: J2.038.071C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 25
Formal charge: 0
Complexity: 543

Related reactions

3 records

New reaction record

HRID 11586As productuspto-grants-2006_08

HRID 31129As productuspto-grants-2008_09

HRID 1828347As productuspto-grants-2006_06

Compound notes

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