1-[5-(Diethylamino)pentan-2-yl]-3-(6-methoxyquinolin-8-yl)urea phosphate(1:1)

HCID 224729

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Basic information

CAS: 5442-94-4
Standard SMILES: CCN(CC)CCCC(C)NC(=O)Nc1cc(OC)cc2cccnc12.O=P(O)(O)O
InChIKey: NTMFMMAZQHOOOO-UHFFFAOYSA-N
Molecular formula: C20H33N4O6P
Average molar mass: 456.5 g/mol
Monoisotopic mass: 456.21377178

Names & identifiers

Preferred name: 1-[5-(Diethylamino)pentan-2-yl]-3-(6-methoxyquinolin-8-yl)urea phosphate(1:1)
IUPAC: 1-[5-(diethylamino)pentan-2-yl]-3-(6-methoxyquinolin-8-yl)urea;phosphoric acid

Names & synonyms

5442-94-41-[5-(diethylamino)pentan-2-yl]-3-(6-methoxyquinolin-8-yl)urea phosphate(1:1)NSC13454DTXSID50279628NSC-13454Phosphoric acid--N-[5-(diethylamino)pentan-2-yl]-N'-(6-methoxyquinolin-8-yl)urea (1/1)

Database identifiers

CAS: 5442-94-4
PubChem CID: 224729
DTXSID: DTXSID50279628

Properties

Computed structural properties

Topological polar surface area: 144 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 31
Formal charge: 0
Complexity: 466

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