chempirical

N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine

C15H10ClFN4O3CAS 179552-74-0348.72 g/mol

Open in Covalent MOL file
ONNHNFClN+OO−
Aryl halideEtherNitroSecondary amine

Properties

Molecular formula
C15H10ClFN4O3
Molar mass
348.72 g/mol
Exact mass
348.0425 Da
logP
4.08Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
179552-74-0
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]
InChIKey
VKEKKVCWODTGAP-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClFN4O3/c1-24-14-6-12-9(5-13(14)21(22)23)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7H,1H3,(H,18,19,20)

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Work with N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine

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-fluoro-6-nitroquinazolin-4-amine162012-67-178 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-668 % similar Gefitinib184475-35-257 % similar 4-Chloro-7-methoxy-6-nitroquinazoline55496-69-057 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-655 % similar Dacomitinib1110813-31-452 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-151 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-448 % similar

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

Elsewhere

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