butanedioate;bis(quinolin-1-ium)

C22H20N2O4 — CID 11538076

IUPACbutanedioate;bis(quinolin-1-ium)
SMILESO=C([O-])CCC(=O)[O-].c1ccc2[nH+]cccc2c1.c1ccc2[nH+]cccc2c1
InChIInChI=1S/2C9H7N.C4H6O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;5-3(6)1-2-4(7)8/h2*1-7H;1-2H2,(H,5,6)(H,7,8)
InChIKeyMGWWWPBRCLEQJX-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.57
Rot. Bonds3

About butanedioate;bis(quinolin-1-ium)

butanedioate;bis(quinolin-1-ium) (PubChem CID 11538076) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is butanedioate;bis(quinolin-1-ium).

Molecular Properties

Compound Namebutanedioate;bis(quinolin-1-ium)
PubChem CID11538076
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namebutanedioate;bis(quinolin-1-ium)
SMILESO=C([O-])CCC(=O)[O-].c1ccc2[nH+]cccc2c1.c1ccc2[nH+]cccc2c1
InChIInChI=1S/2C9H7N.C4H6O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;5-3(6)1-2-4(7)8/h2*1-7H;1-2H2,(H,5,6)(H,7,8)
InChIKeyMGWWWPBRCLEQJX-UHFFFAOYSA-N
XLogP0.57
TPSA108.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis((E)-but-2-enedioic acid);quinolin-1-ium
CID 11602969
methanesulfonate;quinolin-1-ium
CID 11521445
quinolin-1-ium sulfamate
CID 11680206
hexanedioate;bis(pyridin-1-ium-2-amine)
CID 166624740
4-methylbenzenesulfonate;quinolin-1-ium
CID 11702180
diazanium;benzoic acid;butanedioate
CID 172678265
phthalate;bis(quinolin-1-ium-8-ol)
CID 163359214
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
triazanium;hexanedioate;benzoate
CID 178053899
3-indazol-1-ylpropanoate
CID 5147223
magnesium hexanedioate
CID 24074

Frequently Asked Questions

What is the IUPAC name of butanedioate;bis(quinolin-1-ium)?
The IUPAC name of butanedioate;bis(quinolin-1-ium) (CID 11538076) is butanedioate;bis(quinolin-1-ium).
What is the SMILES notation for butanedioate;bis(quinolin-1-ium)?
The canonical SMILES for butanedioate;bis(quinolin-1-ium) is O=C([O-])CCC(=O)[O-].c1ccc2[nH+]cccc2c1.c1ccc2[nH+]cccc2c1.
What is the InChIKey of butanedioate;bis(quinolin-1-ium)?
The InChIKey is MGWWWPBRCLEQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C4H6O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;5-3(6)1-2-4(7)8/h2*1-7H;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioate;bis(quinolin-1-ium)?
butanedioate;bis(quinolin-1-ium) has a molecular weight of 376.41 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioate;bis(quinolin-1-ium) is sourced from PubChem (CID 11538076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).