N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine

C₁₈H₁₆ClFN₄O₂CAS 314771-76-1374.80 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine Secondary amine

Properties

Molecular formula: C₁₈H₁₆ClFN₄O₂
Molar mass: 374.80 g/mol
Exact mass: 374.0946 Da
logP: 3.92Crippen estimate
Polar surface area: 82.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

314771-76-1

SMILES

Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

InChIKey

BIQABKFYKJRXII-NSHDSACASA-N

InChI

InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1

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Names and synonyms

3 names

4,6-Quinazolinediamine, N4-(3-chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-
6-Amino-4-[(3-chloro-4-fluorophenyl)amino]-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine

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Similar compounds

N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide439081-18-261 % similar Afatinib850140-72-661 % similar Diethyl P-[2-[[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]amino]-2-oxoethyl]phosphonate618061-76-060 % similar Gefitinib184475-35-253 % similar Canertinib267243-28-745 % similar Canertinib dihydrochloride289499-45-244 % similar Dacomitinib1110813-31-444 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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