7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid

C17H19ClN2O5 — CID 69350822

IUPAC7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(NCCOCCO)cc2c1=O
InChIInChI=1S/C17H19ClN2O5/c18-17(1-2-17)12-8-13-10(15(22)11(9-20-13)16(23)24)7-14(12)19-3-5-25-6-4-21/h7-9,19,21H,1-6H2,(H,20,22)(H,23,24)
InChIKeyZONVBTFFWRLTEH-UHFFFAOYSA-N
MW366.80 g/mol
LogP1.88
Rot. Bonds8

About 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid

7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 69350822) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID69350822
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Name7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(NCCOCCO)cc2c1=O
InChIInChI=1S/C17H19ClN2O5/c18-17(1-2-17)12-8-13-10(15(22)11(9-20-13)16(23)24)7-14(12)19-3-5-25-6-4-21/h7-9,19,21H,1-6H2,(H,20,22)(H,23,24)
InChIKeyZONVBTFFWRLTEH-UHFFFAOYSA-N
XLogP1.88
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-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-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 57254078
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
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
6,7-bis(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70495268
7-chloro-1-ethyl-6-[2-[2-(2-isocyanoethoxy)ethoxy]ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821957
6-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 53376795
2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 43532018
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
7-(1-hydroxypropan-2-yl)-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid
CID 67028549

Frequently Asked Questions

What is the IUPAC name of 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid (CID 69350822) is 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(NCCOCCO)cc2c1=O.
What is the InChIKey of 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is ZONVBTFFWRLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c18-17(1-2-17)12-8-13-10(15(22)11(9-20-13)16(23)24)7-14(12)19-3-5-25-6-4-21/h7-9,19,21H,1-6H2,(H,20,22)(H,23,24).
What are the key properties of 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid?
7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 366.80 g/mol, XLogP of 1.88, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 69350822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).