2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate

C26H14N2O4-2 — CID 3109026

IUPAC2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)nc2ccccc12
InChIInChI=1S/C26H16N2O4/c29-25(30)19-13-23(27-21-7-3-1-5-17(19)21)15-9-11-16(12-10-15)24-14-20(26(31)32)18-6-2-4-8-22(18)28-24/h1-14H,(H,29,30)(H,31,32)/p-2
InChIKeyYZUZUSJYPFGORM-UHFFFAOYSA-L
MW418.41 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate

2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate (PubChem CID 3109026) has the molecular formula C26H14N2O4-2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
PubChem CID3109026
Molecular FormulaC26H14N2O4-2
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)nc2ccccc12
InChIInChI=1S/C26H16N2O4/c29-25(30)19-13-23(27-21-7-3-1-5-17(19)21)15-9-11-16(12-10-15)24-14-20(26(31)32)18-6-2-4-8-22(18)28-24/h1-14H,(H,29,30)(H,31,32)/p-2
InChIKeyYZUZUSJYPFGORM-UHFFFAOYSA-L
XLogP2.84
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-phenylquinoline-4-carboxylate
CID 23691042
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
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
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
CID 87530134
CID 87530134
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate (CID 3109026) is 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate is O=C([O-])c1cc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate?
The InChIKey is YZUZUSJYPFGORM-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H16N2O4/c29-25(30)19-13-23(27-21-7-3-1-5-17(19)21)15-9-11-16(12-10-15)24-14-20(26(31)32)18-6-2-4-8-22(18)28-24/h1-14H,(H,29,30)(H,31,32)/p-2.
What are the key properties of 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate?
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate has a molecular weight of 418.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate is sourced from PubChem (CID 3109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).