2-phenylquinoline-3,4-dicarboxylic acid

C17H11NO4 — CID 71341092

IUPAC2-phenylquinoline-3,4-dicarboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H11NO4/c19-16(20)13-11-8-4-5-9-12(11)18-15(14(13)17(21)22)10-6-2-1-3-7-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyGQJLNYCMDZQHSM-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.30
Rot. Bonds3

About 2-phenylquinoline-3,4-dicarboxylic acid

2-phenylquinoline-3,4-dicarboxylic acid (PubChem CID 71341092) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-phenylquinoline-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-phenylquinoline-3,4-dicarboxylic acid
PubChem CID71341092
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2-phenylquinoline-3,4-dicarboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H11NO4/c19-16(20)13-11-8-4-5-9-12(11)18-15(14(13)17(21)22)10-6-2-1-3-7-10/h1-9H,(H,19,20)(H,21,22)
InChIKeyGQJLNYCMDZQHSM-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-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
(3-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
CID 68702928
3-(4-chlorophenyl)sulfanyl-2-phenylquinoline-4-carboxylic acid
CID 3762674
2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid
CID 23497641
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid
CID 69448154

Frequently Asked Questions

What is the IUPAC name of 2-phenylquinoline-3,4-dicarboxylic acid?
The IUPAC name of 2-phenylquinoline-3,4-dicarboxylic acid (CID 71341092) is 2-phenylquinoline-3,4-dicarboxylic acid.
What is the SMILES notation for 2-phenylquinoline-3,4-dicarboxylic acid?
The canonical SMILES for 2-phenylquinoline-3,4-dicarboxylic acid is O=C(O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 2-phenylquinoline-3,4-dicarboxylic acid?
The InChIKey is GQJLNYCMDZQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-16(20)13-11-8-4-5-9-12(11)18-15(14(13)17(21)22)10-6-2-1-3-7-10/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 2-phenylquinoline-3,4-dicarboxylic acid?
2-phenylquinoline-3,4-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 2-phenylquinoline-3,4-dicarboxylic acid is sourced from PubChem (CID 71341092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).