6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid

C18H24N2O5 — CID 59819428

IUPAC6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(CCOCCOCCN)ccc21
InChIInChI=1S/C18H24N2O5/c1-2-20-12-15(18(22)23)17(21)14-11-13(3-4-16(14)20)5-7-24-9-10-25-8-6-19/h3-4,11-12H,2,5-10,19H2,1H3,(H,22,23)
InChIKeyMQOUUBCDTAPPHN-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.25
Rot. Bonds10

About 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid

6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 59819428) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID59819428
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(CCOCCOCCN)ccc21
InChIInChI=1S/C18H24N2O5/c1-2-20-12-15(18(22)23)17(21)14-11-13(3-4-16(14)20)5-7-24-9-10-25-8-6-19/h3-4,11-12H,2,5-10,19H2,1H3,(H,22,23)
InChIKeyMQOUUBCDTAPPHN-UHFFFAOYSA-N
XLogP1.25
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-[3-(2-hydroxyethoxy)propyl]-4-oxoquinoline-3-carboxylic acid
CID 59864149
6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 59819427
6-[3-(2-aminoethylamino)propyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 87662977
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90876719
1-ethyl-4-oxo-6-[3-[(3R)-pyrrolidin-3-yl]oxypropyl]quinoline-3-carboxylic acid
CID 68996801
CID 69025781
CID 69025781
2,2-dimethylpropanoyloxymethyl 6-(3-aminopropyl)-1-ethyl-4-oxoquinoline-3-carboxylate
CID 69449220
3-acetyl-1,6-diethylquinolin-4-one
CID 58801712
6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 143454772
7-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 59822007
3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid
CID 141141884
6-[3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 174506459

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (CID 59819428) is 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(CCOCCOCCN)ccc21.
What is the InChIKey of 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MQOUUBCDTAPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-2-20-12-15(18(22)23)17(21)14-11-13(3-4-16(14)20)5-7-24-9-10-25-8-6-19/h3-4,11-12H,2,5-10,19H2,1H3,(H,22,23).
What are the key properties of 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59819428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).