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

C12H13NO4 — CID 12819275

IUPAC3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid
SMILESO=C(O)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13NO4/c14-11-4-1-8-7-9(2-3-10(8)13-11)17-6-5-12(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)
InChIKeyBVFFQLRKJBXBKK-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.42
Rot. Bonds4

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

3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid (PubChem CID 12819275) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid
PubChem CID12819275
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid
SMILESO=C(O)CCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13NO4/c14-11-4-1-8-7-9(2-3-10(8)13-11)17-6-5-12(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)
InChIKeyBVFFQLRKJBXBKK-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-3,4-dihydro-2(1H)-quinolinone
CID 2774040
N-(2-hydroxybutyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylpentanamide
CID 44367386
6-Methoxy-1,2,3,4-tetrahydroquinolin-2-one
CID 10888467
6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47398190
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
6-(3-phenylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191362
N-Cyclohexyl-N-methyl-4-((2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy)butanamide
CID 13200334
2-(4-Benzyloxy-phenylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084803
6-(Benzyloxy)-3,4-dihydroquinolin-2(1H)-one
CID 44565882
6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 86342357
Opc 3911
CID 131164
8-{4-[(4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-phenoxy}-octanoic acid
CID 54731764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid?
The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid (CID 12819275) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid is O=C(O)CCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid?
The InChIKey is BVFFQLRKJBXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-4-1-8-7-9(2-3-10(8)13-11)17-6-5-12(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid?
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoic acid is sourced from PubChem (CID 12819275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).