Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate

C₃₀H₂₉N₃O₄CAS 446299-90-7495.58 g/mol

Open in Covalent MOL file

Amide Ester

Properties

Molecular formula: C₃₀H₂₉N₃O₄
Molar mass: 495.58 g/mol
Exact mass: 495.2158 Da
logP: 5.47Crippen estimate
Polar surface area: 81.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Identifiers

CAS number

446299-90-7

SMILES

CCOC(=O)c1cn(C2CC2)c2c(C)c(-c3cnc(N(C)C(=O)c4ccccc4)c(C)c3)ccc2c1=O

InChIKey

CMAZMSAFNFXQGQ-UHFFFAOYSA-N

InChI

InChI=1S/C30H29N3O4/c1-5-37-30(36)25-17-33(22-11-12-22)26-19(3)23(13-14-24(26)27(25)34)21-15-18(2)28(31-16-21)32(4)29(35)20-9-7-6-8-10-20/h6-10,13-17,22H,5,11-12H2,1-4H3

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Names and synonyms

2 names

3-Quinolinecarboxylic acid, 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-, ethyl ester
7-[6-[Benzoyl(methyl)amino]-5-methyl-3-pyridinyl]-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ethyl ester

Work with Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate

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

Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate103877-51-653 % similar Ozenoxacin245765-41-744 % similar Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxoquinoline-3-carboxylate194805-07-742 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester112811-71-940 % similar N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide446299-80-540 % similar Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-446299-81-638 % similar Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate106939-34-832 % similar Ethyl 2-methylbenzoate87-24-131 % similar

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

Elsewhere

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