N2,N4-Dibenzylquinazoline-2,4-diamine

C₂₂H₂₀N₄CAS 177355-84-9340.43 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₂₂H₂₀N₄
Molar mass: 340.43 g/mol
Exact mass: 340.1688 Da
logP: 4.85Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

177355-84-9

SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4

InChIKey

QAIMUUJJAJBPCL-UHFFFAOYSA-N

InChI

InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)

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Names and synonyms

1 names

Dbeq

Work with N2,N4-Dibenzylquinazoline-2,4-diamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Benzylamino)pyridine6935-27-942 % similar 6-Benzylaminopurine1214-39-742 % similar Benzylaniline103-32-241 % similar Dibenzylamine103-49-136 % similar 9-Phenylacridine602-56-235 % similar 4-(Benzylamino)phenol103-14-035 % similar 6-Benzylaminopurine hydrochloride162714-86-535 % similar Importazole662163-81-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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