3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate

C18H22N2O4 — CID 53269421

IUPAC3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1N(CC)CC
InChIInChI=1S/C18H22N2O4/c1-5-20(6-2)16-12-9-8-10-13(17(21)23-4)15(12)19-11-14(16)18(22)24-7-3/h8-11H,5-7H2,1-4H3
InChIKeyFEFCVDMGGYLRHR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.04
Rot. Bonds6

About 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate

3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate (PubChem CID 53269421) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
PubChem CID53269421
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1N(CC)CC
InChIInChI=1S/C18H22N2O4/c1-5-20(6-2)16-12-9-8-10-13(17(21)23-4)15(12)19-11-14(16)18(22)24-7-3/h8-11H,5-7H2,1-4H3
InChIKeyFEFCVDMGGYLRHR-UHFFFAOYSA-N
XLogP3.04
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
CID 23908170
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
3-O-ethyl 8-O-methyl 4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3,8-dicarboxylate
CID 23904512
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
ethyl 4-[ethyl-(4-methoxyphenyl)sulfonylamino]-8-iodoquinoline-3-carboxylate
CID 54527784
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
ethyl 8-bromo-4-[methyl(oxetan-3-yl)amino]quinoline-3-carboxylate
CID 134511540
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate?
The IUPAC name of 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate (CID 53269421) is 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate?
The canonical SMILES for 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1N(CC)CC.
What is the InChIKey of 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate?
The InChIKey is FEFCVDMGGYLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-20(6-2)16-12-9-8-10-13(17(21)23-4)15(12)19-11-14(16)18(22)24-7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate?
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate is sourced from PubChem (CID 53269421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).