5-phenylquinoline-2,4-dicarboxylic acid

C17H11NO4 — CID 11077216

IUPAC5-phenylquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C17H11NO4/c19-16(20)12-9-14(17(21)22)18-13-8-4-7-11(15(12)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyQOFMNBAYKIGGRF-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.30
Rot. Bonds3

About 5-phenylquinoline-2,4-dicarboxylic acid

5-phenylquinoline-2,4-dicarboxylic acid (PubChem CID 11077216) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-phenylquinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-phenylquinoline-2,4-dicarboxylic acid
PubChem CID11077216
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name5-phenylquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C17H11NO4/c19-16(20)12-9-14(17(21)22)18-13-8-4-7-11(15(12)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyQOFMNBAYKIGGRF-UHFFFAOYSA-N
XLogP3.30
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylquinoline-2,4-dicarboxylic acid?
The IUPAC name of 5-phenylquinoline-2,4-dicarboxylic acid (CID 11077216) is 5-phenylquinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 5-phenylquinoline-2,4-dicarboxylic acid?
The canonical SMILES for 5-phenylquinoline-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 5-phenylquinoline-2,4-dicarboxylic acid?
The InChIKey is QOFMNBAYKIGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-16(20)12-9-14(17(21)22)18-13-8-4-7-11(15(12)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 5-phenylquinoline-2,4-dicarboxylic acid?
5-phenylquinoline-2,4-dicarboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylquinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 11077216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).