1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H21NO3 — CID 106454610

IUPAC1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCCCOCCN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7H,2,4,6,8-11H2,1H3,(H,17,18)
InChIKeyOUHPECMHGBNNLZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds6

About 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 106454610) 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-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID106454610
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCCCOCCN1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7H,2,4,6,8-11H2,1H3,(H,17,18)
InChIKeyOUHPECMHGBNNLZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840475
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154740793
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167804837
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 78979818
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 106454610) is 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is CCCOCCN1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is OUHPECMHGBNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-19-11-9-16-8-4-6-12-13(15(17)18)5-3-7-14(12)16/h3,5,7H,2,4,6,8-11H2,1H3,(H,17,18).
What are the key properties of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.56, 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-5-carboxylic acid is sourced from PubChem (CID 106454610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).