Einecs 300-472-0

HCID 44153647

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Basic information

CAS: 93940-73-9
Standard SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1
InChIKey: QRZSUPISJKVWCJ-YHUPNWGDSA-N
Molecular formula: C30H36ClN5O7
Average molar mass: 614.1 g/mol
Monoisotopic mass: 613.2303262

Names & identifiers

Preferred name: Einecs 300-472-0
IUPAC: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)

Names & synonyms

EINECS 300-472-093940-73-95-Oxo-L-proline, compound with 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol (2:1)DTXSID80917001NS00091827(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol (2/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol (2/1)

Database identifiers

CAS: 93940-73-9
PubChem CID: 44153647
DTXSID: DTXSID80917001
EC Number: 300-472-0

Properties

Computed structural properties

Topological polar surface area: 181 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 43
Formal charge: 0
Complexity: 561

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