4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol

C₁₅H₁₁ClFN₃O₂CAS 184475-71-6319.72 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol Secondary amine

Properties

Molecular formula: C₁₅H₁₁ClFN₃O₂
Molar mass: 319.72 g/mol
Exact mass: 319.0524 Da
logP: 3.88Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

184475-71-6

SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O

InChIKey

JLVTVCRXFMLUIF-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)

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Names and synonyms

1 names

4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-ol

Work with 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol

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

N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine179552-74-068 % similar Gefitinib184475-35-262 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-660 % similar Dacomitinib1110813-31-457 % similar 4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline196603-96-056 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-155 % similar N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine162012-67-154 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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