ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate

C25H21FN2O2 — CID 71680756

IUPACethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2ccc(F)cc2/c1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21FN2O2/c1-3-30-25(29)22-16-28(2)23-14-11-19(26)15-21(23)24(22)27-20-12-9-18(10-13-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3/b27-24+
InChIKeyRIRMXLOQXMJPSL-SOYKGTTHSA-N
MW400.45 g/mol
LogP5.39
Rot. Bonds4

About ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate

ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate (PubChem CID 71680756) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate
PubChem CID71680756
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Nameethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2ccc(F)cc2/c1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21FN2O2/c1-3-30-25(29)22-16-28(2)23-14-11-19(26)15-21(23)24(22)27-20-12-9-18(10-13-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3/b27-24+
InChIKeyRIRMXLOQXMJPSL-SOYKGTTHSA-N
XLogP5.39
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate (CID 71680756) is ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate is CCOC(=O)c1cn(C)c2ccc(F)cc2/c1=N\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate?
The InChIKey is RIRMXLOQXMJPSL-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-3-30-25(29)22-16-28(2)23-14-11-19(26)15-21(23)24(22)27-20-12-9-18(10-13-20)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3/b27-24+.
What are the key properties of ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate?
ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate has a molecular weight of 400.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-1-methyl-4-(4-phenylphenyl)iminoquinoline-3-carboxylate is sourced from PubChem (CID 71680756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).