dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate

C20H16FNO5 — CID 23075551

IUPACdimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H16FNO5/c1-26-19(24)15-9-16(20(25)27-2)18(23)17-14(15)8-12(10-22-17)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,7H2,1-2H3
InChIKeyXYIUNRFBZVHNOW-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.24
Rot. Bonds4

About dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate

dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate (PubChem CID 23075551) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate
PubChem CID23075551
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Namedimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H16FNO5/c1-26-19(24)15-9-16(20(25)27-2)18(23)17-14(15)8-12(10-22-17)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,7H2,1-2H3
InChIKeyXYIUNRFBZVHNOW-UHFFFAOYSA-N
XLogP3.24
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate?
The IUPAC name of dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate (CID 23075551) is dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate?
The canonical SMILES for dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate?
The InChIKey is XYIUNRFBZVHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c1-26-19(24)15-9-16(20(25)27-2)18(23)17-14(15)8-12(10-22-17)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,7H2,1-2H3.
What are the key properties of dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate?
dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate has a molecular weight of 369.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxylate is sourced from PubChem (CID 23075551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).