2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid

C14H15NO4 — CID 66487386

IUPAC2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
SMILESCCOc1cccc2c(=O)ccn(C(C)C(=O)O)c12
InChIInChI=1S/C14H15NO4/c1-3-19-12-6-4-5-10-11(16)7-8-15(13(10)12)9(2)14(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyBCKJYFDDMYYDLF-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds4

About 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid

2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid (PubChem CID 66487386) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
PubChem CID66487386
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
SMILESCCOc1cccc2c(=O)ccn(C(C)C(=O)O)c12
InChIInChI=1S/C14H15NO4/c1-3-19-12-6-4-5-10-11(16)7-8-15(13(10)12)9(2)14(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyBCKJYFDDMYYDLF-UHFFFAOYSA-N
XLogP2.05
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487387
3-(8-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487335
methyl 3-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487334
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
(2R)-2-(7-chloroindol-1-yl)propanoic acid
CID 107427806
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid
CID 93203665
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019
2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53269466
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate
CID 83163011

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid (CID 66487386) is 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid is CCOc1cccc2c(=O)ccn(C(C)C(=O)O)c12.
What is the InChIKey of 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid?
The InChIKey is BCKJYFDDMYYDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-12-6-4-5-10-11(16)7-8-15(13(10)12)9(2)14(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid?
2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 66487386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).