4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid

C16H18N2O3 — CID 102739940

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
SMILESCN(CCOc1c(C(=O)O)cnc2ccccc12)C1CC1
InChIInChI=1S/C16H18N2O3/c1-18(11-6-7-11)8-9-21-15-12-4-2-3-5-14(12)17-10-13(15)16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyUYURGYLGXYNDGS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds6

About 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid

4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid (PubChem CID 102739940) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
PubChem CID102739940
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
SMILESCN(CCOc1c(C(=O)O)cnc2ccccc12)C1CC1
InChIInChI=1S/C16H18N2O3/c1-18(11-6-7-11)8-9-21-15-12-4-2-3-5-14(12)17-10-13(15)16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyUYURGYLGXYNDGS-UHFFFAOYSA-N
XLogP2.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid (CID 102739940) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid is CN(CCOc1c(C(=O)O)cnc2ccccc12)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid?
The InChIKey is UYURGYLGXYNDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(11-6-7-11)8-9-21-15-12-4-2-3-5-14(12)17-10-13(15)16(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid?
4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 102739940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).