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

C21H15NO3 — CID 168527201

IUPAC2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccco4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H15NO3/c1-13-4-9-18-16(11-13)17(21(23)24)12-19(22-18)14-5-7-15(8-6-14)20-3-2-10-25-20/h2-12H,1H3,(H,23,24)
InChIKeyUAOWEQMQVNOOND-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.17
Rot. Bonds3

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

2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid (PubChem CID 168527201) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
PubChem CID168527201
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccco4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H15NO3/c1-13-4-9-18-16(11-13)17(21(23)24)12-19(22-18)14-5-7-15(8-6-14)20-3-2-10-25-20/h2-12H,1H3,(H,23,24)
InChIKeyUAOWEQMQVNOOND-UHFFFAOYSA-N
XLogP5.17
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane
CID 163542844
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
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
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid (CID 168527201) is 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(-c4ccco4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is UAOWEQMQVNOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-4-9-18-16(11-13)17(21(23)24)12-19(22-18)14-5-7-15(8-6-14)20-3-2-10-25-20/h2-12H,1H3,(H,23,24).
What are the key properties of 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid?
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 168527201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).