2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid

C51H58Cl2F2N6O15 — CID 158247032

IUPAC2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESNCCOCCO.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCO)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(NCCOCCO)c(F)cc2c1=O
InChIInChI=1S/C17H19ClN2O5.C17H19FN2O5.C13H9ClFNO3.C4H11NO2/c18-13-8-15-11(7-14(13)19-3-5-25-6-4-21)16(22)12(17(23)24)9-20(15)10-1-2-10;18-13-7-11-15(8-14(13)19-3-5-25-6-4-21)20(10-1-2-10)9-12(16(11)22)17(23)24;14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;5-1-3-7-4-2-6/h2*7-10,19,21H,1-6H2,(H,23,24);3-6H,1-2H2,(H,18,19);6H,1-5H2
InChIKeyGGFZXAGENGQVQR-UHFFFAOYSA-N
MW1103.95 g/mol
LogP5.48
Rot. Bonds22

About 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid

2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid (PubChem CID 158247032) has the molecular formula C51H58Cl2F2N6O15 and a molecular weight of 1103.95 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
PubChem CID158247032
Molecular FormulaC51H58Cl2F2N6O15
Molecular Weight1103.95 g/mol
Exact Mass1102.33
IUPAC Name2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESNCCOCCO.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCO)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(NCCOCCO)c(F)cc2c1=O
InChIInChI=1S/C17H19ClN2O5.C17H19FN2O5.C13H9ClFNO3.C4H11NO2/c18-13-8-15-11(7-14(13)19-3-5-25-6-4-21)16(22)12(17(23)24)9-20(15)10-1-2-10;18-13-7-11-15(8-14(13)19-3-5-25-6-4-21)20(10-1-2-10)9-12(16(11)22)17(23)24;14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;5-1-3-7-4-2-6/h2*7-10,19,21H,1-6H2,(H,23,24);3-6H,1-2H2,(H,18,19);6H,1-5H2
InChIKeyGGFZXAGENGQVQR-UHFFFAOYSA-N
XLogP5.48
TPSA316.36 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001103.95
LogP ≤ 55.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 53376683
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821914
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 146717195
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid (CID 158247032) is 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid is NCCOCCO.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCO)cc2c1=O.O=C(O)c1cn(C2CC2)c2cc(NCCOCCO)c(F)cc2c1=O.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is GGFZXAGENGQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5.C17H19FN2O5.C13H9ClFNO3.C4H11NO2/c18-13-8-15-11(7-14(13)19-3-5-25-6-4-21)16(22)12(17(23)24)9-20(15)10-1-2-10;18-13-7-11-15(8-14(13)19-3-5-25-6-4-21)20(10-1-2-10)9-12(16(11)22)17(23)24;14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;5-1-3-7-4-2-6/h2*7-10,19,21H,1-6H2,(H,23,24);3-6H,1-2H2,(H,18,19);6H,1-5H2.
What are the key properties of 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 1103.95 g/mol, XLogP of 5.48, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 158247032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).