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

C13H13NO4 — CID 43332241

IUPAC2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(OCCCO)nc2ccccc12
InChIInChI=1S/C13H13NO4/c15-6-3-7-18-12-8-10(13(16)17)9-4-1-2-5-11(9)14-12/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)
InChIKeyVXYDPTUFIRMRQX-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.69
Rot. Bonds5

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

2-(3-hydroxypropoxy)quinoline-4-carboxylic acid (PubChem CID 43332241) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
PubChem CID43332241
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(OCCCO)nc2ccccc12
InChIInChI=1S/C13H13NO4/c15-6-3-7-18-12-8-10(13(16)17)9-4-1-2-5-11(9)14-12/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)
InChIKeyVXYDPTUFIRMRQX-UHFFFAOYSA-N
XLogP1.69
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.69
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

2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
2-(trifluoromethylsulfonyloxy)quinoline-4-carboxylic acid
CID 123591424
2-(4,4,4-trifluorobutoxy)quinoline-4-carbothioamide
CID 82783382
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid (CID 43332241) is 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid is O=C(O)c1cc(OCCCO)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid?
The InChIKey is VXYDPTUFIRMRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-6-3-7-18-12-8-10(13(16)17)9-4-1-2-5-11(9)14-12/h1-2,4-5,8,15H,3,6-7H2,(H,16,17).
What are the key properties of 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid?
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 43332241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).