chempirical

2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-A]pyrimidin-9-yl]ethyl]amino]benzoic acid

C22H24N4O4CAS 1173900-33-8408.46 g/mol

Open in Covalent MOL file
NONNHOHONO
Carboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C22H24N4O4
Molar mass
408.46 g/mol
Exact mass
408.1798 Da
logP
2.71Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1173900-33-8
SMILES
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
InChIKey
IRTDIKMSKMREGO-OAHLLOKOSA-N
InChI
InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1

Weigh it out

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Work with 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-A]pyrimidin-9-yl]ethyl]amino]benzoic acid

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

2-Morpholinobenzoic acid42106-48-939 % similar Gsk26367711372540-25-432 % similar N-Methylanthranilic acid119-68-630 % similar

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

Elsewhere

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