4(3H)-Quinazolinone, 3-(((1-methylethyl)amino)methyl)-, dihydrochloride

HCID 63286

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Basic information

CAS: 75174-38-8
Standard SMILES: CC(C)NCn1cnc2ccccc2c1=O.Cl.Cl
InChIKey: ICKLEWAEFRCZAE-UHFFFAOYSA-N
Molecular formula: C12H17Cl2N3O
Average molar mass: 290.19 g/mol
Monoisotopic mass: 289.0748676

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(((1-methylethyl)amino)methyl)-, dihydrochloride
IUPAC: 3-[(propan-2-ylamino)methyl]quinazolin-4-one;dihydrochloride

Names & synonyms

75174-38-84(3H)-Quinazolinone, 3-(((1-methylethyl)amino)methyl)-, dihydrochlorideDTXSID602261633-(((1-Methylethyl)amino)methyl)-4(3H)-quinazolinone dihydrochlorideRefChem:283919DTXCID601486543-{[(Propan-2-yl)amino]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)

Database identifiers

CAS: 75174-38-8
PubChem CID: 63286
DTXSID: DTXSID60226163

Properties

Computed structural properties

Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 288

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