4-pentoxyquinoline-3-carboxylic acid

C15H17NO3 — CID 61339358

IUPAC4-pentoxyquinoline-3-carboxylic acid
SMILESCCCCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C15H17NO3/c1-2-3-6-9-19-14-11-7-4-5-8-13(11)16-10-12(14)15(17)18/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyNVGLEARIFUWQKZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.50
Rot. Bonds6

About 4-pentoxyquinoline-3-carboxylic acid

4-pentoxyquinoline-3-carboxylic acid (PubChem CID 61339358) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-pentoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-pentoxyquinoline-3-carboxylic acid
PubChem CID61339358
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-pentoxyquinoline-3-carboxylic acid
SMILESCCCCCOc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C15H17NO3/c1-2-3-6-9-19-14-11-7-4-5-8-13(11)16-10-12(14)15(17)18/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyNVGLEARIFUWQKZ-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxyquinoline-3-carboxylic acid
CID 61339357
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
CID 102739940
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-pentoxyisoquinoline-3-carboxylic acid
CID 174334672
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-(3-methoxypropylsulfanyl)quinoline-3-carboxylic acid
CID 63858059
2-pentoxybenzoic acid;hydrochloride
CID 70416265
3-amino-2-pentoxybenzoic acid
CID 112579762
2-heptoxy-3-methylbenzoic acid
CID 54560597
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884

Frequently Asked Questions

What is the IUPAC name of 4-pentoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-pentoxyquinoline-3-carboxylic acid (CID 61339358) is 4-pentoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-pentoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-pentoxyquinoline-3-carboxylic acid is CCCCCOc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-pentoxyquinoline-3-carboxylic acid?
The InChIKey is NVGLEARIFUWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-6-9-19-14-11-7-4-5-8-13(11)16-10-12(14)15(17)18/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of 4-pentoxyquinoline-3-carboxylic acid?
4-pentoxyquinoline-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 61339358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).