4-(2-methoxyethylamino)quinoline-3-carboxylic acid

C13H14N2O3 — CID 61340793

IUPAC4-(2-methoxyethylamino)quinoline-3-carboxylic acid
SMILESCOCCNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H14N2O3/c1-18-7-6-14-12-9-4-2-3-5-11(9)15-8-10(12)13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNXICZMBXXFBLST-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.99
Rot. Bonds5

About 4-(2-methoxyethylamino)quinoline-3-carboxylic acid

4-(2-methoxyethylamino)quinoline-3-carboxylic acid (PubChem CID 61340793) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethylamino)quinoline-3-carboxylic acid
PubChem CID61340793
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(2-methoxyethylamino)quinoline-3-carboxylic acid
SMILESCOCCNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H14N2O3/c1-18-7-6-14-12-9-4-2-3-5-11(9)15-8-10(12)13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNXICZMBXXFBLST-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.99
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-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-(3-methoxypropylsulfanyl)quinoline-3-carboxylic acid
CID 63858059
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115649355
3-amino-2-(2-methoxyethylamino)benzoic acid
CID 112577611
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(2-methoxyethylamino)quinoline-3-carboxylic acid (CID 61340793) is 4-(2-methoxyethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethylamino)quinoline-3-carboxylic acid is COCCNc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-(2-methoxyethylamino)quinoline-3-carboxylic acid?
The InChIKey is NXICZMBXXFBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-7-6-14-12-9-4-2-3-5-11(9)15-8-10(12)13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2-methoxyethylamino)quinoline-3-carboxylic acid?
4-(2-methoxyethylamino)quinoline-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 61340793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).