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

C19H22N2O5 — CID 59819427

IUPAC6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCOCCN)ccc21
InChIInChI=1S/C19H22N2O5/c1-2-21-13-16(19(23)24)18(22)15-12-14(5-6-17(15)21)4-3-8-25-10-11-26-9-7-20/h5-6,12-13H,2,7-11,20H2,1H3,(H,23,24)
InChIKeyFNMWCUIVECZBLU-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.06
Rot. Bonds8

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

6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 59819427) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID59819427
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCOCCN)ccc21
InChIInChI=1S/C19H22N2O5/c1-2-21-13-16(19(23)24)18(22)15-12-14(5-6-17(15)21)4-3-8-25-10-11-26-9-7-20/h5-6,12-13H,2,7-11,20H2,1H3,(H,23,24)
InChIKeyFNMWCUIVECZBLU-UHFFFAOYSA-N
XLogP1.06
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid (CID 59819427) is 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCOCCN)ccc21.
What is the InChIKey of 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FNMWCUIVECZBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-21-13-16(19(23)24)18(22)15-12-14(5-6-17(15)21)4-3-8-25-10-11-26-9-7-20/h5-6,12-13H,2,7-11,20H2,1H3,(H,23,24).
What are the key properties of 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid?
6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2-aminoethoxy)ethoxy]prop-1-ynyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).