bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper

C40H24CuN4O8 — CID 59873950

IUPACbis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
SMILESO=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Cu]
InChIInChI=1S/2C20H12N2O4.Cu/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;/h2*1-10H,(H,23,24)(H,25,26);
InChIKeyXAIBOEWOHAKQJC-UHFFFAOYSA-N
MW752.20 g/mol
LogP7.69
Rot. Bonds6

About bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper

bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper (PubChem CID 59873950) has the molecular formula C40H24CuN4O8 and a molecular weight of 752.20 g/mol. Its IUPAC name is bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper.

Molecular Properties

Compound Namebis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
PubChem CID59873950
Molecular FormulaC40H24CuN4O8
Molecular Weight752.20 g/mol
Exact Mass751.09
IUPAC Namebis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
SMILESO=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Cu]
InChIInChI=1S/2C20H12N2O4.Cu/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;/h2*1-10H,(H,23,24)(H,25,26);
InChIKeyXAIBOEWOHAKQJC-UHFFFAOYSA-N
XLogP7.69
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.20
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper 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

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
2-(2-aminophenyl)quinoline-4-carboxylic acid
CID 131879149
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper?
The IUPAC name of bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper (CID 59873950) is bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper.
What is the SMILES notation for bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper?
The canonical SMILES for bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper is O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Cu].
What is the InChIKey of bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper?
The InChIKey is XAIBOEWOHAKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12N2O4.Cu/c2*23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;/h2*1-10H,(H,23,24)(H,25,26);.
What are the key properties of bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper?
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper has a molecular weight of 752.20 g/mol, XLogP of 7.69, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper is sourced from PubChem (CID 59873950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).