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

C14H15NO4 — CID 62041809

IUPAC1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
SMILESCCOCCn1c(=O)cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-2-19-8-7-15-12-6-4-3-5-10(12)11(14(17)18)9-13(15)16/h3-6,9H,2,7-8H2,1H3,(H,17,18)
InChIKeyFIVPPDRVCJJKAH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.74
Rot. Bonds5

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

1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid (PubChem CID 62041809) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
PubChem CID62041809
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
SMILESCCOCCn1c(=O)cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-2-19-8-7-15-12-6-4-3-5-10(12)11(14(17)18)9-13(15)16/h3-6,9H,2,7-8H2,1H3,(H,17,18)
InChIKeyFIVPPDRVCJJKAH-UHFFFAOYSA-N
XLogP1.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.74
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-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid (CID 62041809) is 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid is CCOCCn1c(=O)cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid?
The InChIKey is FIVPPDRVCJJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-19-8-7-15-12-6-4-3-5-10(12)11(14(17)18)9-13(15)16/h3-6,9H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid?
1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 62041809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).