methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate

C23H16FNO3 — CID 73350452

IUPACmethyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H16FNO3/c1-27-23(26)20-14-22(25-21-12-9-16(24)13-19(20)21)15-7-10-18(11-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyYTZISGBVBQLBJE-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.62
Rot. Bonds4

About methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate

methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate (PubChem CID 73350452) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate
PubChem CID73350452
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Namemethyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H16FNO3/c1-27-23(26)20-14-22(25-21-12-9-16(24)13-19(20)21)15-7-10-18(11-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyYTZISGBVBQLBJE-UHFFFAOYSA-N
XLogP5.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate (CID 73350452) is methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate?
The InChIKey is YTZISGBVBQLBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c1-27-23(26)20-14-22(25-21-12-9-16(24)13-19(20)21)15-7-10-18(11-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate?
methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-(4-phenoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 73350452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).