potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid

C32H18Cl2KN2O4+ — CID 54612327

IUPACpotassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)c5cc(Cl)ccc5n4)cc3)cc2)nc2ccc(Cl)cc12.[K+]
InChIInChI=1S/C32H18Cl2N2O4.K/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30;/h1-16H,(H,37,38)(H,39,40);/q;+1
InChIKeyAKPLBHJIGPTIPL-UHFFFAOYSA-N
MW604.51 g/mol
LogP5.49
Rot. Bonds5

About potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid

potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid (PubChem CID 54612327) has the molecular formula C32H18Cl2KN2O4+ and a molecular weight of 604.51 g/mol. Its IUPAC name is potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Namepotassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid
PubChem CID54612327
Molecular FormulaC32H18Cl2KN2O4+
Molecular Weight604.51 g/mol
Exact Mass603.03
IUPAC Namepotassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)c5cc(Cl)ccc5n4)cc3)cc2)nc2ccc(Cl)cc12.[K+]
InChIInChI=1S/C32H18Cl2N2O4.K/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30;/h1-16H,(H,37,38)(H,39,40);/q;+1
InChIKeyAKPLBHJIGPTIPL-UHFFFAOYSA-N
XLogP5.49
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-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

Frequently Asked Questions

What is the IUPAC name of potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid?
The IUPAC name of potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid (CID 54612327) is potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid.
What is the SMILES notation for potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid?
The canonical SMILES for potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)c5cc(Cl)ccc5n4)cc3)cc2)nc2ccc(Cl)cc12.[K+].
What is the InChIKey of potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid?
The InChIKey is AKPLBHJIGPTIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18Cl2N2O4.K/c33-21-9-11-27-23(13-21)25(31(37)38)15-29(35-27)19-5-1-17(2-6-19)18-3-7-20(8-4-18)30-16-26(32(39)40)24-14-22(34)10-12-28(24)36-30;/h1-16H,(H,37,38)(H,39,40);/q;+1.
What are the key properties of potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid?
potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid has a molecular weight of 604.51 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[4-[4-(4-carboxy-6-chloroquinolin-2-yl)phenyl]phenyl]-6-chloroquinoline-4-carboxylic acid is sourced from PubChem (CID 54612327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).