ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate

C19H15ClFNO2 — CID 54440324

IUPACethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2nc(-c3ccccc3F)cc(Cl)c2c1
InChIInChI=1S/C19H15ClFNO2/c1-2-24-19(23)10-12-7-8-17-14(9-12)15(20)11-18(22-17)13-5-3-4-6-16(13)21/h3-9,11H,2,10H2,1H3
InChIKeyWNQILWMRKDSXNF-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.80
Rot. Bonds4

About ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate

ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate (PubChem CID 54440324) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate
PubChem CID54440324
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Nameethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2nc(-c3ccccc3F)cc(Cl)c2c1
InChIInChI=1S/C19H15ClFNO2/c1-2-24-19(23)10-12-7-8-17-14(9-12)15(20)11-18(22-17)13-5-3-4-6-16(13)21/h3-9,11H,2,10H2,1H3
InChIKeyWNQILWMRKDSXNF-UHFFFAOYSA-N
XLogP4.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 698742
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CID 45281242
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CID 24800940
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CID 1049966
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CID 1911450
CID 1911450
CID 2113979
CID 2113979
CID 95235020
CID 95235020
CID 698744
CID 698744
CID 744092
CID 744092
CID 769190
CID 769190
CID 2118109
CID 2118109
CID 53321611
CID 53321611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate (CID 54440324) is ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate is CCOC(=O)Cc1ccc2nc(-c3ccccc3F)cc(Cl)c2c1.
What is the InChIKey of ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate?
The InChIKey is WNQILWMRKDSXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c1-2-24-19(23)10-12-7-8-17-14(9-12)15(20)11-18(22-17)13-5-3-4-6-16(13)21/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate?
ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate has a molecular weight of 343.79 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-(2-fluorophenyl)quinolin-6-yl]acetate is sourced from PubChem (CID 54440324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).