2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-carboxypropyl]aminocarbonyl-4-chloroquinoline

HCID 22017364
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Basic information

Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIKey
YXNPGLLKQMDCBZ-UHFFFAOYSA-N
Molecular formula
C22H25ClN4O6
Average molar mass
476.9 g/mol
Monoisotopic mass
476.1462622

Names & identifiers

Preferred name
2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-carboxypropyl]aminocarbonyl-4-chloroquinoline
IUPAC
4-[(4-chloroquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid

Names & synonyms

SCHEMBL5411163YXNPGLLKQMDCBZ-UHFFFAOYSA-N2-[1-(4-(ethoxycarbonyl)piperazin-1-yl)carbonyl-3-carboxypropyl]aminocarbonyl-4-chloroquinoline

Database identifiers

PubChem CID
22017364

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
129 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
33

Related reactions

5 records
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Compound notes

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