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

HCID 22017379
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Basic information

Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC)NC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIKey
ZLGVGEGDBXFQPC-UHFFFAOYSA-N
Molecular formula
C23H27ClN4O6
Average molar mass
490.9 g/mol
Monoisotopic mass
490.1619123

Names & identifiers

Preferred name
2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(methoxycarbonyl)propyl]aminocarbonyl-4-chloroquinoline
IUPAC
ethyl 4-[2-[(4-chloroquinoline-2-carbonyl)amino]-5-methoxy-5-oxopentanoyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL5419937ZLGVGEGDBXFQPC-UHFFFAOYSA-N2-[1-(4-(ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(methoxycarbonyl)propyl]aminocarbonyl-4-chloroquinoline

Database identifiers

PubChem CID
22017379

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

9 records
New reaction record

Compound notes

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