2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid

C21H14FNO3 — CID 714202

IUPAC2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H14FNO3/c1-12-2-7-17-15(10-12)16(21(24)25)11-18(23-17)20-9-8-19(26-20)13-3-5-14(22)6-4-13/h2-11H,1H3,(H,24,25)
InChIKeyWQZOIDMCNMPJRQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP5.31
Rot. Bonds3

About 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid

2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid (PubChem CID 714202) has the molecular formula C21H14FNO3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
PubChem CID714202
Molecular FormulaC21H14FNO3
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)O)c2c1
InChIInChI=1S/C21H14FNO3/c1-12-2-7-17-15(10-12)16(21(24)25)11-18(23-17)20-9-8-19(26-20)13-3-5-14(22)6-4-13/h2-11H,1H3,(H,24,25)
InChIKeyWQZOIDMCNMPJRQ-UHFFFAOYSA-N
XLogP5.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.35
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 2147629
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
2-[5-(4-butylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid
CID 167502276
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid (CID 714202) is 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is WQZOIDMCNMPJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3/c1-12-2-7-17-15(10-12)16(21(24)25)11-18(23-17)20-9-8-19(26-20)13-3-5-14(22)6-4-13/h2-11H,1H3,(H,24,25).
What are the key properties of 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 714202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).