methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate

C17H10ClF2NO2 — CID 67960963

IUPACmethyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(F)cc(Cl)cc3F)c2c1
InChIInChI=1S/C17H10ClF2NO2/c1-23-17(22)9-2-3-15-12(6-9)11(4-5-21-15)16-13(19)7-10(18)8-14(16)20/h2-8H,1H3
InChIKeyILMKVUGZVYKWKW-UHFFFAOYSA-N
MW333.72 g/mol
LogP4.62
Rot. Bonds2

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

methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate (PubChem CID 67960963) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate
PubChem CID67960963
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Namemethyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(F)cc(Cl)cc3F)c2c1
InChIInChI=1S/C17H10ClF2NO2/c1-23-17(22)9-2-3-15-12(6-9)11(4-5-21-15)16-13(19)7-10(18)8-14(16)20/h2-8H,1H3
InChIKeyILMKVUGZVYKWKW-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate (CID 67960963) is methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate is COC(=O)c1ccc2nccc(-c3c(F)cc(Cl)cc3F)c2c1.
What is the InChIKey of methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate?
The InChIKey is ILMKVUGZVYKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c1-23-17(22)9-2-3-15-12(6-9)11(4-5-21-15)16-13(19)7-10(18)8-14(16)20/h2-8H,1H3.
What are the key properties of methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate?
methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate has a molecular weight of 333.72 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chloro-2,6-difluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 67960963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).