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

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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-(phenylmethoxy)-2(1H)-quinolinone93609-84-871 % similar 5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-455 % similar 5-[(1R)-2-Bromo-1-hydroxyethyl]-8-(phenylmethoxy)-2(1H)-quinolinone530084-79-853 % similar 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline100331-89-344 % similar 2-(Benzyloxy)benzoic acid14389-86-739 % similar Phenylmethyl 2-chloroacetate140-18-137 % similar 2-(Phenylmethoxy)phenol6272-38-435 % similar 2-(Benzyloxy)phenylacetic acid22047-88-735 % 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

PubChem CAS Common Chemistry NIST WebBook