5-(2-Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone

C₁₈H₁₄ClNO₃CAS 63404-86-4327.76 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone Phenol

Properties

Molecular formula: C₁₈H₁₄ClNO₃
Molar mass: 327.76 g/mol
Exact mass: 327.0662 Da
logP: 3.94Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63404-86-4

SMILES

O=C(CCl)c1ccc(OCc2ccccc2)c2nc(O)ccc12

InChIKey

AUFKEUKWVZCLQD-UHFFFAOYSA-N

InChI

InChI=1S/C18H14ClNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)

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Names and synonyms

2 names

2(1H)-Quinolinone, 5-(2-chloroacetyl)-8-(phenylmethoxy)-
2(1H)-Quinolinone, 5-(chloroacetyl)-8-(phenylmethoxy)-

Work with 5-(2-Chloroacetyl)-8-(phenylmethoxy)-2(1H)-quinolinone

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

5-Acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one93609-84-871 % similar 5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-455 % similar 5-((1R)-2-Bromo-1-hydroxyethyl)-8-phenylmethoxy-1H-quinolin-2-one530084-79-853 % similar 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline100331-89-344 % similar 2-(Benzyloxy)benzoic acid14389-86-739 % similar Phenylmethyl 2-chloroacetate140-18-137 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-036 % similar 1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide137-52-0

Elsewhere

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