2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid

C13H15NO5 — CID 46786283

IUPAC2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
SMILESCCOc1cc2c(cc1OCC(=O)O)NC(=O)CC2
InChIInChI=1S/C13H15NO5/c1-2-18-10-5-8-3-4-12(15)14-9(8)6-11(10)19-7-13(16)17/h5-6H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMESZBXGUDFCBIX-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.43
Rot. Bonds5

About 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid

2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid (PubChem CID 46786283) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
PubChem CID46786283
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
SMILESCCOc1cc2c(cc1OCC(=O)O)NC(=O)CC2
InChIInChI=1S/C13H15NO5/c1-2-18-10-5-8-3-4-12(15)14-9(8)6-11(10)19-7-13(16)17/h5-6H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMESZBXGUDFCBIX-UHFFFAOYSA-N
XLogP1.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
CID 119180338
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
2-[2-ethoxy-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]phenoxy]acetic acid
CID 120549970
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
CID 61329541
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 55366574

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid?
The IUPAC name of 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid (CID 46786283) is 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid?
The canonical SMILES for 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid is CCOc1cc2c(cc1OCC(=O)O)NC(=O)CC2.
What is the InChIKey of 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid?
The InChIKey is MESZBXGUDFCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-18-10-5-8-3-4-12(15)14-9(8)6-11(10)19-7-13(16)17/h5-6H,2-4,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid?
2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid is sourced from PubChem (CID 46786283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).