3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido[1,2-A]pyrimidin-4-one

C₁₈H₁₇ClN₂O₂CAS 147687-17-0328.80 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₈H₁₇ClN₂O₂
Molar mass: 328.80 g/mol
Exact mass: 328.0979 Da
logP: 3.36Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

147687-17-0

SMILES

Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCCl

InChIKey

DFZLZGAIWJGCIJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3

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Names and synonyms

3 names

4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)-
3-(2-Chloroethyl)-2-methyl-9-benzyloxy-4H-pyrido[1,2-a]pyrimidin-4-one
9-Benzyloxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Work with 3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido[1,2-A]pyrimidin-4-one

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

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one41078-70-057 % similar 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one63234-80-038 % similar 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one130049-82-037 % similar 2-(Benzyloxy)benzaldehyde5896-17-332 % similar 2-Benzyloxyaniline20012-63-931 % similar 2-(Phenylmethoxy)phenol6272-38-431 % similar Phenylethyl chloride622-24-231 % similar 2-Amino-3-benzyloxypyridine24016-03-331 % similar

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

Same formula

1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one137977-97-0

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