1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

C15H21NO3 — CID 106454791

IUPAC1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCCCOCCN1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-7-13(15(17)18)12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,18)
InChIKeyGDPCWBDXCOQEBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

About 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 106454791) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID106454791
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCCCOCCN1CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-7-13(15(17)18)12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,18)
InChIKeyGDPCWBDXCOQEBV-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 103181381
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106460181
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 104800515
1-(dimethylaminocarbamoyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83019475
1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154742281

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 106454791) is 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is CCCOCCN1CCC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is GDPCWBDXCOQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-7-13(15(17)18)12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 106454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).