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

C14H15NO4 — CID 55184879

IUPAC4-(3-methoxypropoxy)quinoline-2-carboxylic acid
SMILESCOCCCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H15NO4/c1-18-7-4-8-19-13-9-12(14(16)17)15-11-6-3-2-5-10(11)13/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyQTENLBDZDUNJIC-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.35
Rot. Bonds6

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

4-(3-methoxypropoxy)quinoline-2-carboxylic acid (PubChem CID 55184879) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypropoxy)quinoline-2-carboxylic acid
PubChem CID55184879
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(3-methoxypropoxy)quinoline-2-carboxylic acid
SMILESCOCCCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H15NO4/c1-18-7-4-8-19-13-9-12(14(16)17)15-11-6-3-2-5-10(11)13/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyQTENLBDZDUNJIC-UHFFFAOYSA-N
XLogP2.35
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
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-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
CID 106200390
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
CID 66277591
6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
CID 11483742
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)quinoline-2-carboxylic acid?
The IUPAC name of 4-(3-methoxypropoxy)quinoline-2-carboxylic acid (CID 55184879) is 4-(3-methoxypropoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypropoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxypropoxy)quinoline-2-carboxylic acid is COCCCOc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(3-methoxypropoxy)quinoline-2-carboxylic acid?
The InChIKey is QTENLBDZDUNJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-7-4-8-19-13-9-12(14(16)17)15-11-6-3-2-5-10(11)13/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17).
What are the key properties of 4-(3-methoxypropoxy)quinoline-2-carboxylic acid?
4-(3-methoxypropoxy)quinoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 55184879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).