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

C14H17NO4 — CID 137347729

IUPAC2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
SMILESCCC(=O)N1CCCc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C14H17NO4/c1-2-13(16)15-7-3-4-10-8-11(5-6-12(10)15)19-9-14(17)18/h5-6,8H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyVDDIUAYZPZJAEX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.84
Rot. Bonds4

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

2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid (PubChem CID 137347729) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
PubChem CID137347729
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
SMILESCCC(=O)N1CCCc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C14H17NO4/c1-2-13(16)15-7-3-4-10-8-11(5-6-12(10)15)19-9-14(17)18/h5-6,8H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyVDDIUAYZPZJAEX-UHFFFAOYSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
CID 41459030
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid?
The IUPAC name of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid (CID 137347729) is 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid?
The canonical SMILES for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid is CCC(=O)N1CCCc2cc(OCC(=O)O)ccc21.
What is the InChIKey of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid?
The InChIKey is VDDIUAYZPZJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-13(16)15-7-3-4-10-8-11(5-6-12(10)15)19-9-14(17)18/h5-6,8H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid?
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid is sourced from PubChem (CID 137347729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).