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

C21H13FNO3- — CID 2147629

IUPAC2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(-c4ccccc4F)o3)cc(C(=O)[O-])c2c1
InChIInChI=1S/C21H14FNO3/c1-12-6-7-17-14(10-12)15(21(24)25)11-18(23-17)20-9-8-19(26-20)13-4-2-3-5-16(13)22/h2-11H,1H3,(H,24,25)/p-1
InChIKeyMBJDMCUTOQXEPR-UHFFFAOYSA-M
MW346.34 g/mol
LogP3.97
Rot. Bonds3

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

2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate (PubChem CID 2147629) has the molecular formula C21H13FNO3- and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
PubChem CID2147629
Molecular FormulaC21H13FNO3-
Molecular Weight346.34 g/mol
Exact Mass346.09
IUPAC Name2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(-c4ccccc4F)o3)cc(C(=O)[O-])c2c1
InChIInChI=1S/C21H14FNO3/c1-12-6-7-17-14(10-12)15(21(24)25)11-18(23-17)20-9-8-19(26-20)13-4-2-3-5-16(13)22/h2-11H,1H3,(H,24,25)/p-1
InChIKeyMBJDMCUTOQXEPR-UHFFFAOYSA-M
XLogP3.97
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
CID 7172625
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
CID 1015909
2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
potassium 6-chloro-2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 23688647
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
6-chloro-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate
CID 2025545
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
CID 42749933

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate?
The IUPAC name of 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate (CID 2147629) is 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate?
The canonical SMILES for 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate is Cc1ccc2nc(-c3ccc(-c4ccccc4F)o3)cc(C(=O)[O-])c2c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate?
The InChIKey is MBJDMCUTOQXEPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14FNO3/c1-12-6-7-17-14(10-12)15(21(24)25)11-18(23-17)20-9-8-19(26-20)13-4-2-3-5-16(13)22/h2-11H,1H3,(H,24,25)/p-1.
What are the key properties of 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate?
2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 2147629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).