3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate

C15H16N2O4 — CID 46397906

IUPAC3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1NC
InChIInChI=1S/C15H16N2O4/c1-4-21-15(19)11-8-17-12-7-9(14(18)20-3)5-6-10(12)13(11)16-2/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyCHDWPUXMNPAXQX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.24
Rot. Bonds4

About 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate

3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate (PubChem CID 46397906) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
PubChem CID46397906
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1NC
InChIInChI=1S/C15H16N2O4/c1-4-21-15(19)11-8-17-12-7-9(14(18)20-3)5-6-10(12)13(11)16-2/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyCHDWPUXMNPAXQX-UHFFFAOYSA-N
XLogP2.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
dimethyl 2-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzene-1,4-dicarboxylate
CID 23477154
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 6-bromo-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 150234989
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate
CID 107578642

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate?
The IUPAC name of 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate (CID 46397906) is 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate?
The canonical SMILES for 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate is CCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1NC.
What is the InChIKey of 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate?
The InChIKey is CHDWPUXMNPAXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-21-15(19)11-8-17-12-7-9(14(18)20-3)5-6-10(12)13(11)16-2/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate?
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate is sourced from PubChem (CID 46397906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).