ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate

C18H21N3O3 — CID 57447047

IUPACethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
SMILESCCOCc1nc2cnc3ccccc3c2n1CCC(=O)OCC
InChIInChI=1S/C18H21N3O3/c1-3-23-12-16-20-15-11-19-14-8-6-5-7-13(14)18(15)21(16)10-9-17(22)24-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyZUGGCWXTYUENND-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds7

About ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate

ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate (PubChem CID 57447047) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
PubChem CID57447047
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
SMILESCCOCc1nc2cnc3ccccc3c2n1CCC(=O)OCC
InChIInChI=1S/C18H21N3O3/c1-3-23-12-16-20-15-11-19-14-8-6-5-7-13(14)18(15)21(16)10-9-17(22)24-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyZUGGCWXTYUENND-UHFFFAOYSA-N
XLogP3.07
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
CID 57447045
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate (CID 57447047) is ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate is CCOCc1nc2cnc3ccccc3c2n1CCC(=O)OCC.
What is the InChIKey of ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate?
The InChIKey is ZUGGCWXTYUENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-23-12-16-20-15-11-19-14-8-6-5-7-13(14)18(15)21(16)10-9-17(22)24-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate?
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate is sourced from PubChem (CID 57447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).