ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate

C20H17F2NO3 — CID 164677018

IUPACethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2ccc(OC)cc2c1-c1ccccc1
InChIInChI=1S/C20H17F2NO3/c1-3-26-19(24)20(21,22)16-12-23-17-10-9-14(25-2)11-15(17)18(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyLGEQBJRSQKFMCS-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.57
Rot. Bonds5

About ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate

ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate (PubChem CID 164677018) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate
PubChem CID164677018
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Nameethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2ccc(OC)cc2c1-c1ccccc1
InChIInChI=1S/C20H17F2NO3/c1-3-26-19(24)20(21,22)16-12-23-17-10-9-14(25-2)11-15(17)18(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyLGEQBJRSQKFMCS-UHFFFAOYSA-N
XLogP4.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
ethyl 2-methyl-4-phenyl-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 2135923
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
ethyl 2-[2-(2,2-dimethylpropanoylamino)-5-methoxyphenyl]-2,2-difluoroacetate
CID 122211733
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
ethyl 2,2-difluoro-2-[6-(trifluoromethoxy)quinoxalin-2-yl]acetate
CID 71143405
ethyl 2-(2,4-dichloropyrimidin-5-yl)-2,2-difluoroacetate
CID 163409906

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate (CID 164677018) is ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate is CCOC(=O)C(F)(F)c1cnc2ccc(OC)cc2c1-c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate?
The InChIKey is LGEQBJRSQKFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-3-26-19(24)20(21,22)16-12-23-17-10-9-14(25-2)11-15(17)18(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate?
ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate has a molecular weight of 357.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 164677018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).