4(3H)-Quinazolinone, 3-(((((4-methylphenyl)amino)methyl)amino)methyl)-, dihydrochloride
Basic information
- CAS
75159-29-4- Standard SMILES
Cc1ccc(NCNCn2cnc3ccccc3c2=O)cc1.Cl.Cl- InChIKey
LVGXQDIIBJWUSK-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N4O
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.1014167
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(((((4-methylphenyl)amino)methyl)amino)methyl)-, dihydrochloride
- IUPAC
- 3-[[(4-methylanilino)methylamino]methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(((((4-methylphenyl)amino)methyl)amino)methyl)-, dihydrochloride75159-29-4DTXSID902261313-(((((4-Methylphenyl)amino)methyl)amino)methyl)-4(3H)-quinazolinone dihydrochlorideRefChem:283912DTXCID901486223-({[(4-Methylanilino)methyl]amino}methyl)quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
75159-29-4- PubChem CID
- 64108
- DTXSID
DTXSID90226131
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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