6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate

C20H10F2NO3- — CID 7172625

IUPAC6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc12
InChIInChI=1S/C20H11F2NO3/c21-11-5-6-16-13(9-11)14(20(24)25)10-17(23-16)19-8-7-18(26-19)12-3-1-2-4-15(12)22/h1-10H,(H,24,25)/p-1
InChIKeyVMSRDCOSCFKKHM-UHFFFAOYSA-M
MW350.30 g/mol
LogP3.80
Rot. Bonds3

About 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate

6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate (PubChem CID 7172625) has the molecular formula C20H10F2NO3- and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Name6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
PubChem CID7172625
Molecular FormulaC20H10F2NO3-
Molecular Weight350.30 g/mol
Exact Mass350.06
IUPAC Name6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc12
InChIInChI=1S/C20H11F2NO3/c21-11-5-6-16-13(9-11)14(20(24)25)10-17(23-16)19-8-7-18(26-19)12-3-1-2-4-15(12)22/h1-10H,(H,24,25)/p-1
InChIKeyVMSRDCOSCFKKHM-UHFFFAOYSA-M
XLogP3.80
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 2147629
3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
CID 1015909
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate
CID 2025545
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118
potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 23688647
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate?
The IUPAC name of 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate (CID 7172625) is 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate.
What is the SMILES notation for 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate?
The canonical SMILES for 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate is O=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate?
The InChIKey is VMSRDCOSCFKKHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H11F2NO3/c21-11-5-6-16-13(9-11)14(20(24)25)10-17(23-16)19-8-7-18(26-19)12-3-1-2-4-15(12)22/h1-10H,(H,24,25)/p-1.
What are the key properties of 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate?
6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate has a molecular weight of 350.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate is sourced from PubChem (CID 7172625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).