methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate

C17H9ClF3NO2 — CID 67961034

IUPACmethyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nccc(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C17H9ClF3NO2/c1-24-17(23)8-4-11-10(2-3-22-16(11)12(18)5-8)15-13(20)6-9(19)7-14(15)21/h2-7H,1H3
InChIKeyVNVSLOAJYROBOY-UHFFFAOYSA-N
MW351.71 g/mol
LogP4.76
Rot. Bonds2

About methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate

methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate (PubChem CID 67961034) has the molecular formula C17H9ClF3NO2 and a molecular weight of 351.71 g/mol. Its IUPAC name is methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
PubChem CID67961034
Molecular FormulaC17H9ClF3NO2
Molecular Weight351.71 g/mol
Exact Mass351.03
IUPAC Namemethyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nccc(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C17H9ClF3NO2/c1-24-17(23)8-4-11-10(2-3-22-16(11)12(18)5-8)15-13(20)6-9(19)7-14(15)21/h2-7H,1H3
InChIKeyVNVSLOAJYROBOY-UHFFFAOYSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
CID 58553441
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890
methyl 2-amino-5-chloro-4-(2,4,6-trifluorophenyl)benzoate
CID 156507011
methyl 3,5-difluorobenzoate
CID 2775360
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 3-(6-chloro-3-pyridinyl)-5-fluorobenzoate
CID 142582222
4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
CID 67961965

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate (CID 67961034) is methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate is COC(=O)c1cc(Cl)c2nccc(-c3c(F)cc(F)cc3F)c2c1.
What is the InChIKey of methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate?
The InChIKey is VNVSLOAJYROBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO2/c1-24-17(23)8-4-11-10(2-3-22-16(11)12(18)5-8)15-13(20)6-9(19)7-14(15)21/h2-7H,1H3.
What are the key properties of methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate?
methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate has a molecular weight of 351.71 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 67961034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).