ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride

C18H25ClN2O3 — CID 54602049

IUPACethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-4-20(5-2)11-12-23-14-7-8-17-16(13-14)15(9-10-19-17)18(21)22-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyJQHUSPSKBAXSLO-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.55
Rot. Bonds8

About ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride

ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride (PubChem CID 54602049) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride
PubChem CID54602049
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Nameethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-4-20(5-2)11-12-23-14-7-8-17-16(13-14)15(9-10-19-17)18(21)22-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyJQHUSPSKBAXSLO-UHFFFAOYSA-N
XLogP3.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride (CID 54602049) is ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride is CCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl.
What is the InChIKey of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride?
The InChIKey is JQHUSPSKBAXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-4-20(5-2)11-12-23-14-7-8-17-16(13-14)15(9-10-19-17)18(21)22-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H.
What are the key properties of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride?
ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride is sourced from PubChem (CID 54602049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).