3-phenylquinoline-2,8-dicarboxylic acid

C17H11NO4 — CID 15456153

IUPAC3-phenylquinoline-2,8-dicarboxylic acid
SMILESO=C(O)c1nc2c(C(=O)O)cccc2cc1-c1ccccc1
InChIInChI=1S/C17H11NO4/c19-16(20)12-8-4-7-11-9-13(10-5-2-1-3-6-10)15(17(21)22)18-14(11)12/h1-9H,(H,19,20)(H,21,22)
InChIKeyKSRONUPGURAQJS-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.30
Rot. Bonds3

About 3-phenylquinoline-2,8-dicarboxylic acid

3-phenylquinoline-2,8-dicarboxylic acid (PubChem CID 15456153) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-phenylquinoline-2,8-dicarboxylic acid.

Molecular Properties

Compound Name3-phenylquinoline-2,8-dicarboxylic acid
PubChem CID15456153
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name3-phenylquinoline-2,8-dicarboxylic acid
SMILESO=C(O)c1nc2c(C(=O)O)cccc2cc1-c1ccccc1
InChIInChI=1S/C17H11NO4/c19-16(20)12-8-4-7-11-9-13(10-5-2-1-3-6-10)15(17(21)22)18-14(11)12/h1-9H,(H,19,20)(H,21,22)
InChIKeyKSRONUPGURAQJS-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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Related Compounds

3-phenyl-1,7-phenanthroline-2-carboxylic acid
CID 69046616
2,3-diphenylquinoline-8-carboxamide
CID 174821968
anthracene;3-phenylphthalic acid
CID 161382372
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
3-iodoquinoline-8-carboxylic acid
CID 130624702
naphthalene;phthalic acid
CID 158069637
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
quinoline-2,8-dicarboxylic acid
CID 19033995
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272

Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoline-2,8-dicarboxylic acid?
The IUPAC name of 3-phenylquinoline-2,8-dicarboxylic acid (CID 15456153) is 3-phenylquinoline-2,8-dicarboxylic acid.
What is the SMILES notation for 3-phenylquinoline-2,8-dicarboxylic acid?
The canonical SMILES for 3-phenylquinoline-2,8-dicarboxylic acid is O=C(O)c1nc2c(C(=O)O)cccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenylquinoline-2,8-dicarboxylic acid?
The InChIKey is KSRONUPGURAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-16(20)12-8-4-7-11-9-13(10-5-2-1-3-6-10)15(17(21)22)18-14(11)12/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 3-phenylquinoline-2,8-dicarboxylic acid?
3-phenylquinoline-2,8-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 3-phenylquinoline-2,8-dicarboxylic acid is sourced from PubChem (CID 15456153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).