2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid

C15H10ClF5N2O5 — CID 19692201

IUPAC2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)C(F)(F)F)cc2cc1O
InChIInChI=1S/C15H10ClF5N2O5/c16-7-3-8-6(2-10(7)28-5-14(17,18)15(19,20)21)1-9(24)12(23-8)13(27)22-4-11(25)26/h1-3,24H,4-5H2,(H,22,27)(H,25,26)
InChIKeyJQGJKVNQBSYSNM-UHFFFAOYSA-N
MW428.70 g/mol
LogP2.98
Rot. Bonds6

About 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid

2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid (PubChem CID 19692201) has the molecular formula C15H10ClF5N2O5 and a molecular weight of 428.70 g/mol. Its IUPAC name is 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid
PubChem CID19692201
Molecular FormulaC15H10ClF5N2O5
Molecular Weight428.70 g/mol
Exact Mass428.02
IUPAC Name2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)C(F)(F)F)cc2cc1O
InChIInChI=1S/C15H10ClF5N2O5/c16-7-3-8-6(2-10(7)28-5-14(17,18)15(19,20)21)1-9(24)12(23-8)13(27)22-4-11(25)26/h1-3,24H,4-5H2,(H,22,27)(H,25,26)
InChIKeyJQGJKVNQBSYSNM-UHFFFAOYSA-N
XLogP2.98
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid (CID 19692201) is 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)C(F)(F)F)cc2cc1O.
What is the InChIKey of 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid?
The InChIKey is JQGJKVNQBSYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5N2O5/c16-7-3-8-6(2-10(7)28-5-14(17,18)15(19,20)21)1-9(24)12(23-8)13(27)22-4-11(25)26/h1-3,24H,4-5H2,(H,22,27)(H,25,26).
What are the key properties of 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid?
2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid has a molecular weight of 428.70 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-3-hydroxy-6-(2,2,3,3,3-pentafluoropropoxy)quinoline-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19692201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).