ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate

C24H22N2O6 — CID 158875379

IUPACethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1.COC(=O)c1cnc2cc(O)ccc2c1
InChIInChI=1S/C13H13NO3.C11H9NO3/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;1-15-11(14)8-4-7-2-3-9(13)5-10(7)12-6-8/h4-8H,3H2,1-2H3;2-6,13H,1H3
InChIKeyJCJDEBZQRVUYHN-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.15
Rot. Bonds4

About ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate

ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate (PubChem CID 158875379) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
PubChem CID158875379
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Nameethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1.COC(=O)c1cnc2cc(O)ccc2c1
InChIInChI=1S/C13H13NO3.C11H9NO3/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;1-15-11(14)8-4-7-2-3-9(13)5-10(7)12-6-8/h4-8H,3H2,1-2H3;2-6,13H,1H3
InChIKeyJCJDEBZQRVUYHN-UHFFFAOYSA-N
XLogP4.15
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
CID 155544242
3-ethyl-7-methoxyquinoline
CID 14361549
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate (CID 158875379) is ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)ccc2c1.COC(=O)c1cnc2cc(O)ccc2c1.
What is the InChIKey of ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate?
The InChIKey is JCJDEBZQRVUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.C11H9NO3/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;1-15-11(14)8-4-7-2-3-9(13)5-10(7)12-6-8/h4-8H,3H2,1-2H3;2-6,13H,1H3.
What are the key properties of ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate?
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate has a molecular weight of 434.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate is sourced from PubChem (CID 158875379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).