methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate

C17H10F3NO2 — CID 122368460

IUPACmethyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H10F3NO2/c1-23-17(22)14-6-9-2-3-11(18)8-15(9)21-16(14)10-4-12(19)7-13(20)5-10/h2-8H,1H3
InChIKeyGDKWXYJUEMXVTJ-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.11
Rot. Bonds2

About methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate

methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate (PubChem CID 122368460) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate
PubChem CID122368460
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Namemethyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H10F3NO2/c1-23-17(22)14-6-9-2-3-11(18)8-15(9)21-16(14)10-4-12(19)7-13(20)5-10/h2-8H,1H3
InChIKeyGDKWXYJUEMXVTJ-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 2-but-3-en-2-yloxy-5-fluorobenzoate
CID 170553481
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
CID 5329284
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate (CID 122368460) is methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate is COC(=O)c1cc2ccc(F)cc2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate?
The InChIKey is GDKWXYJUEMXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c1-23-17(22)14-6-9-2-3-11(18)8-15(9)21-16(14)10-4-12(19)7-13(20)5-10/h2-8H,1H3.
What are the key properties of methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate?
methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate has a molecular weight of 317.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-difluorophenyl)-7-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 122368460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).