2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

HCID 22184841
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Basic information

Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)c3ccc(C)cc3n2)CC1
InChIKey
LTKHTSRMKSGELM-UHFFFAOYSA-N
Molecular formula
C34H46N4O9
Average molar mass
654.7 g/mol
Monoisotopic mass
654.32647906

Names & identifiers

Preferred name
2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline
IUPAC
ethyl 4-[2-[[4-(1-ethoxycarbonylcyclobutyl)oxy-7-methylquinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL5406258LTKHTSRMKSGELM-UHFFFAOYSA-N2-[1-(4-(ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

Database identifiers

PubChem CID
22184841

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
154 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
15
Heavy atoms
47

Related reactions

6 records
New reaction record

Compound notes

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