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

C18H26Cl2N2O3 — CID 131882963

IUPACethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl.Cl
InChIInChI=1S/C18H24N2O3.2ClH/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;2*1H
InChIKeyUHWBVEQEBHGPEA-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.98
Rot. Bonds8

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

ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride (PubChem CID 131882963) has the molecular formula C18H26Cl2N2O3 and a molecular weight of 389.32 g/mol. Its IUPAC name is ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride
PubChem CID131882963
Molecular FormulaC18H26Cl2N2O3
Molecular Weight389.32 g/mol
Exact Mass388.13
IUPAC Nameethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl.Cl
InChIInChI=1S/C18H24N2O3.2ClH/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;2*1H
InChIKeyUHWBVEQEBHGPEA-UHFFFAOYSA-N
XLogP3.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;hydrochloride
CID 54602049
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-4-carboxylate
CID 131748169
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride (CID 131882963) is ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride is CCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12.Cl.Cl.
What is the InChIKey of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride?
The InChIKey is UHWBVEQEBHGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.2ClH/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;2*1H.
What are the key properties of ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride?
ethyl 6-[2-(diethylamino)ethoxy]quinoline-4-carboxylate;dihydrochloride has a molecular weight of 389.32 g/mol, XLogP of 3.98, 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;dihydrochloride is sourced from PubChem (CID 131882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).