Basic information
- CAS
60443-17-6- Standard SMILES
CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12- InChIKey
FKNXQNWAXFXVNW-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304256
Overview
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is a member of quinolines.
Names & identifiers
- Preferred name
- 8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
- IUPAC
- 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
- English name
- 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
60443-17-6NSC308904Procaterol (INN)Meptin (TN)NSC 308904NSC-308904Spectrum2_001550Spectrum3_0017702(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinoneSCHEMBL4632BSPBio_003239
Show more names
Procaterol Impurity 14 HCl Hemihydrate2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-
SPBio_001400CHEMBL160519GTPL3464SCHEMBL29445557CHEBI:91585KBio3_002739DTXSID508609395-[1-hydroxy-2-(propan-2-ylamino)butyl]quinoline-2,8-diol
Database identifiers
- CAS
60443-17-6- PubChem CID
- 4916
- DTXSID
DTXSID50860939- ChEBI
CHEBI:91585- Nikkaji
- J2.206.816D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Collision Cross Section168 Ų [M+H]+ [CCS Type: TW]
Chemistry & industry
Suppliers2 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Additional notes
DefinitionChEBI: 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is a member of quinolines.
Related reactions
4 records
Compound notes
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