chempirical

Ly294002

C19H17NO3CAS 154447-36-6307.35 g/mol

Open in Covalent MOL file
ONOO
EtherTertiary amine

Properties

Molecular formula
C19H17NO3
Molar mass
307.35 g/mol
Exact mass
307.1208 Da
Melting point
184 °C
logP
3.30Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
154447-36-6
SMILES
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12
InChIKey
CZQHHVNHHHRRDU-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-
  • 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
  • LY 294002
  • 8-Phenyl-2-(morpholin-4-yl)-chromen-4-one
  • NSC 697286
  • SF 1101
  • 2-Morpholin-4-yl-8-phenylchromen-4-one
  • 2-Morpholino-8-phenyl-4H-chromen-4-one

Work with Ly294002

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

Alpha-naphthoflavone604-59-138 % similar B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-536 % similar 7,8-Dihydroxyflavone38183-03-836 % similar 4-Phenylmorpholine92-53-536 % similar N-Phenylaza-15-crown-566750-10-535 % similar 3-[4-(4-Morpholinyl)pyrido[3′,2′:4,5]furo[3,2-D]pyrimidin-2-yl]phenol371935-74-933 % similar 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one167869-21-832 % similar 3-(4-Morpholinyl)benzaldehyde446866-87-131 % similar

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

Same formula

N-(4-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4711-68-6 N-(2-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-74-0

Elsewhere

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