ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride

C13H14ClNO3 — CID 22326874

IUPACethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1.Cl
InChIInChI=1S/C13H13NO3.ClH/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;/h4-8H,3H2,1-2H3;1H
InChIKeyCFMGEUAGVWAJNC-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.84
Rot. Bonds3

About ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride

ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride (PubChem CID 22326874) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
PubChem CID22326874
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1.Cl
InChIInChI=1S/C13H13NO3.ClH/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;/h4-8H,3H2,1-2H3;1H
InChIKeyCFMGEUAGVWAJNC-UHFFFAOYSA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
3-ethyl-7-methoxyquinoline
CID 14361549
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride (CID 22326874) is ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2cc(OC)ccc2c1.Cl.
What is the InChIKey of ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride?
The InChIKey is CFMGEUAGVWAJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.ClH/c1-3-17-13(15)10-6-9-4-5-11(16-2)7-12(9)14-8-10;/h4-8H,3H2,1-2H3;1H.
What are the key properties of ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride?
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 22326874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).