2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid

C22H15NO4 — CID 169334559

IUPAC2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(C=O)o4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C22H15NO4/c1-13-2-8-19-17(10-13)18(22(25)26)11-20(23-19)14-3-5-15(6-4-14)21-9-7-16(12-24)27-21/h2-12H,1H3,(H,25,26)
InChIKeyPQCCOMKXIPFHKG-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.98
Rot. Bonds4

About 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid

2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid (PubChem CID 169334559) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
PubChem CID169334559
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(C=O)o4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C22H15NO4/c1-13-2-8-19-17(10-13)18(22(25)26)11-20(23-19)14-3-5-15(6-4-14)21-9-7-16(12-24)27-21/h2-12H,1H3,(H,25,26)
InChIKeyPQCCOMKXIPFHKG-UHFFFAOYSA-N
XLogP4.98
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
6-chloro-2-[3-(5-formylfuran-2-yl)phenyl]quinoline-4-carboxylic acid
CID 169334493
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid (CID 169334559) is 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(-c4ccc(C=O)o4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is PQCCOMKXIPFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c1-13-2-8-19-17(10-13)18(22(25)26)11-20(23-19)14-3-5-15(6-4-14)21-9-7-16(12-24)27-21/h2-12H,1H3,(H,25,26).
What are the key properties of 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 169334559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).