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

C17H11ClFNO2 — CID 67960959

IUPACmethyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)10-5-6-15-12(9-10)11(7-8-20-15)16-13(18)3-2-4-14(16)19/h2-9H,1H3
InChIKeyACTQNAKBLNAMBN-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.48
Rot. Bonds2

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

methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate (PubChem CID 67960959) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
PubChem CID67960959
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Namemethyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)10-5-6-15-12(9-10)11(7-8-20-15)16-13(18)3-2-4-14(16)19/h2-9H,1H3
InChIKeyACTQNAKBLNAMBN-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-6-fluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961379
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
N-(diaminomethylidene)-4-(2,6-dichlorophenyl)quinoline-6-carboxamide
CID 67961386
methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
CID 67961034
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
CID 67961895
methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
CID 58553441
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 1-(2,3-dichlorophenyl)isoquinoline-7-carboxylate
CID 67960992
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
CID 67961008

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate (CID 67960959) is methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate is COC(=O)c1ccc2nccc(-c3c(F)cccc3Cl)c2c1.
What is the InChIKey of methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate?
The InChIKey is ACTQNAKBLNAMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-22-17(21)10-5-6-15-12(9-10)11(7-8-20-15)16-13(18)3-2-4-14(16)19/h2-9H,1H3.
What are the key properties of methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate?
methyl 4-(2-chloro-6-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-6-fluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 67960959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).