ethyl 2-(7-methoxyquinolin-3-yl)acetate

C14H15NO3 — CID 90417413

IUPACethyl 2-(7-methoxyquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2cc(OC)ccc2c1
InChIInChI=1S/C14H15NO3/c1-3-18-14(16)7-10-6-11-4-5-12(17-2)8-13(11)15-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyFDHRGPOSTPFHED-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-(7-methoxyquinolin-3-yl)acetate

ethyl 2-(7-methoxyquinolin-3-yl)acetate (PubChem CID 90417413) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(7-methoxyquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methoxyquinolin-3-yl)acetate
PubChem CID90417413
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-(7-methoxyquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2cc(OC)ccc2c1
InChIInChI=1S/C14H15NO3/c1-3-18-14(16)7-10-6-11-4-5-12(17-2)8-13(11)15-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyFDHRGPOSTPFHED-UHFFFAOYSA-N
XLogP2.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
3-ethyl-7-methoxyquinoline
CID 14361549
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
CID 18637046
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl 2-[4-[(2-methoxypyrimidin-5-yl)methoxy]phenyl]acetate
CID 166383835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methoxyquinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methoxyquinolin-3-yl)acetate (CID 90417413) is ethyl 2-(7-methoxyquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methoxyquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methoxyquinolin-3-yl)acetate is CCOC(=O)Cc1cnc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 2-(7-methoxyquinolin-3-yl)acetate?
The InChIKey is FDHRGPOSTPFHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-18-14(16)7-10-6-11-4-5-12(17-2)8-13(11)15-9-10/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(7-methoxyquinolin-3-yl)acetate?
ethyl 2-(7-methoxyquinolin-3-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methoxyquinolin-3-yl)acetate is sourced from PubChem (CID 90417413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).