1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid

C16H19NO4 — CID 62042889

IUPAC1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid
SMILESCCCCOCCn1c(=O)cc(C(=O)O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-2-3-9-21-10-8-17-14-7-5-4-6-12(14)13(16(19)20)11-15(17)18/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyWVBNMVWJNOEDSA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid

1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid (PubChem CID 62042889) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid
PubChem CID62042889
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid
SMILESCCCCOCCn1c(=O)cc(C(=O)O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-2-3-9-21-10-8-17-14-7-5-4-6-12(14)13(16(19)20)11-15(17)18/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyWVBNMVWJNOEDSA-UHFFFAOYSA-N
XLogP2.52
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid (CID 62042889) is 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid is CCCCOCCn1c(=O)cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The InChIKey is WVBNMVWJNOEDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-3-9-21-10-8-17-14-7-5-4-6-12(14)13(16(19)20)11-15(17)18/h4-7,11H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid?
1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 62042889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).