methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate

C17H11ClFNO2 — CID 164678269

IUPACmethyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1F
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)13-9-20-15-7-6-10(18)8-12(15)16(13)11-4-2-3-5-14(11)19/h2-9H,1H3
InChIKeyYFCYBYHKWWJTNO-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.48
Rot. Bonds2

About methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate

methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate (PubChem CID 164678269) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate
PubChem CID164678269
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Namemethyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1F
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)13-9-20-15-7-6-10(18)8-12(15)16(13)11-4-2-3-5-14(11)19/h2-9H,1H3
InChIKeyYFCYBYHKWWJTNO-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate (CID 164678269) is methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate is COC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1F.
What is the InChIKey of methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate?
The InChIKey is YFCYBYHKWWJTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-22-17(21)13-9-20-15-7-6-10(18)8-12(15)16(13)11-4-2-3-5-14(11)19/h2-9H,1H3.
What are the key properties of methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate?
methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate has a molecular weight of 315.73 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(2-fluorophenyl)quinoline-3-carboxylate is sourced from PubChem (CID 164678269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).