4-(2-ethoxyethylamino)quinoline-2-carboxylic acid

C14H16N2O3 — CID 55183063

IUPAC4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
SMILESCCOCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-19-8-7-15-12-9-13(14(17)18)16-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyISKJWYXELZMXIV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.38
Rot. Bonds6

About 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid

4-(2-ethoxyethylamino)quinoline-2-carboxylic acid (PubChem CID 55183063) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
PubChem CID55183063
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
SMILESCCOCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-19-8-7-15-12-9-13(14(17)18)16-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyISKJWYXELZMXIV-UHFFFAOYSA-N
XLogP2.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid (CID 55183063) is 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid is CCOCCNc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid?
The InChIKey is ISKJWYXELZMXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-8-7-15-12-9-13(14(17)18)16-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid?
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 55183063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).