ethyl (2E)-3-[4-amino-2-ethyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl]prop-2-enoate

HCID 57657271
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Basic information

Standard SMILES
CCOC(=O)/C=C/c1ccc2c(c1)nc(N)c1nc(CC)n(CC3CCOCC3)c12
InChIKey
DOBRGBFFYFZMBW-SOFGYWHQSA-N
Molecular formula
C23H28N4O3
Average molar mass
408.5 g/mol
Monoisotopic mass
408.21614077

Names & identifiers

Preferred name
ethyl (2E)-3-[4-amino-2-ethyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl]prop-2-enoate
IUPAC
ethyl (E)-3-[4-amino-2-ethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-7-yl]prop-2-enoate

Names & synonyms

SCHEMBL13888765DOBRGBFFYFZMBW-SOFGYWHQSA-Nethyl (2E)-3-[4-amino-2-ethyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl]prop-2-enoate

Database identifiers

PubChem CID
57657271

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
92.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
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Compound notes

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