methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate

C17H11ClFNO2 — CID 67961079

IUPACmethyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)10-2-5-16-14(8-10)12(6-7-20-16)13-9-11(19)3-4-15(13)18/h2-9H,1H3
InChIKeyHZPZSRAPZBVGRD-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.48
Rot. Bonds2

About methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate

methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate (PubChem CID 67961079) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
PubChem CID67961079
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Namemethyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)10-2-5-16-14(8-10)12(6-7-20-16)13-9-11(19)3-4-15(13)18/h2-9H,1H3
InChIKeyHZPZSRAPZBVGRD-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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Related Compounds

4-(2-chloro-5-fluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961427
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081
methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
CID 67961034
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
CID 67961008
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2,4-difluorophenyl)methyl]pyridine-4-carboxylate
CID 162229810

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate (CID 67961079) is methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate is COC(=O)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1.
What is the InChIKey of methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate?
The InChIKey is HZPZSRAPZBVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-22-17(21)10-2-5-16-14(8-10)12(6-7-20-16)13-9-11(19)3-4-15(13)18/h2-9H,1H3.
What are the key properties of methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate?
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-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 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 67961079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).