2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate

C15H15NO5 — CID 134910532

IUPAC2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2cc(OC)ccc2cc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-4-21-15(18)13-11(14(17)20-3)7-9-5-6-10(19-2)8-12(9)16-13/h5-8H,4H2,1-3H3
InChIKeyULADDMUDMIEEGS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.21
Rot. Bonds4

About 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate

2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate (PubChem CID 134910532) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
PubChem CID134910532
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2cc(OC)ccc2cc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-4-21-15(18)13-11(14(17)20-3)7-9-5-6-10(19-2)8-12(9)16-13/h5-8H,4H2,1-3H3
InChIKeyULADDMUDMIEEGS-UHFFFAOYSA-N
XLogP2.21
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
CID 176908691
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886311
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate?
The IUPAC name of 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate (CID 134910532) is 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate?
The canonical SMILES for 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate is CCOC(=O)c1nc2cc(OC)ccc2cc1C(=O)OC.
What is the InChIKey of 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate?
The InChIKey is ULADDMUDMIEEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-4-21-15(18)13-11(14(17)20-3)7-9-5-6-10(19-2)8-12(9)16-13/h5-8H,4H2,1-3H3.
What are the key properties of 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate?
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate is sourced from PubChem (CID 134910532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).