2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid

C14H16N2O3 — CID 61104780

IUPAC2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
SMILESCN(C)CCOc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C14H16N2O3/c1-16(2)7-8-19-13-9-11(14(17)18)10-5-3-4-6-12(10)15-13/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKDKOPHXRHRQJTM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid

2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid (PubChem CID 61104780) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
PubChem CID61104780
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
SMILESCN(C)CCOc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C14H16N2O3/c1-16(2)7-8-19-13-9-11(14(17)18)10-5-3-4-6-12(10)15-13/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyKDKOPHXRHRQJTM-UHFFFAOYSA-N
XLogP1.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 28239
1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid
CID 82569729
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid (CID 61104780) is 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid is CN(C)CCOc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid?
The InChIKey is KDKOPHXRHRQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(2)7-8-19-13-9-11(14(17)18)10-5-3-4-6-12(10)15-13/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid?
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 61104780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).