ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate

C25H19F2NO2 — CID 162343089

IUPACethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C25H19F2NO2/c1-3-30-25(29)23-15(2)24(28-22-13-12-18(26)14-20(22)23)17-10-8-16(9-11-17)19-6-4-5-7-21(19)27/h4-14H,3H2,1-2H3
InChIKeyAZFGFZLVRBIUQD-UHFFFAOYSA-N
MW403.43 g/mol
LogP6.33
Rot. Bonds4

About ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate

ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate (PubChem CID 162343089) has the molecular formula C25H19F2NO2 and a molecular weight of 403.43 g/mol. Its IUPAC name is ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
PubChem CID162343089
Molecular FormulaC25H19F2NO2
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Nameethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C25H19F2NO2/c1-3-30-25(29)23-15(2)24(28-22-13-12-18(26)14-20(22)23)17-10-8-16(9-11-17)19-6-4-5-7-21(19)27/h4-14H,3H2,1-2H3
InChIKeyAZFGFZLVRBIUQD-UHFFFAOYSA-N
XLogP6.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-N-methylsulfonylquinoline-4-carboxamide
CID 162659635
6-fluoro-2-[4-(2-formylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 87930625
2,2,2-trifluoro-1-[6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]ethanol
CID 162673274
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
6-fluoro-2-[4-(4-hydroxyphenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 136722831
ethyl 4-(4-fluorophenyl)-2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4199856
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 513434
ethyl 2-(4-tert-butyl-2-methylphenyl)-6-fluoro-4-phenylmethoxyquinoline-3-carboxylate
CID 169256248
ethyl 8-fluoro-1-(4-methoxyphenyl)-4-phenylpyrido[3,2-b]indole-2-carboxylate
CID 132546434
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
[2-(2-fluoroanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 7846055

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate (CID 162343089) is ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate is CCOC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12.
What is the InChIKey of ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
The InChIKey is AZFGFZLVRBIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO2/c1-3-30-25(29)23-15(2)24(28-22-13-12-18(26)14-20(22)23)17-10-8-16(9-11-17)19-6-4-5-7-21(19)27/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate?
ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 162343089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).