ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate

C21H20FNO3 — CID 58762898

IUPACethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C21H20FNO3/c1-3-15-11-18(21(25)26-4-2)20(24)19-17(15)10-14(12-23-19)9-13-5-7-16(22)8-6-13/h5-8,10-12,24H,3-4,9H2,1-2H3
InChIKeyVVWKVWYYONESIB-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.41
Rot. Bonds5

About ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate

ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 58762898) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID58762898
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Nameethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C21H20FNO3/c1-3-15-11-18(21(25)26-4-2)20(24)19-17(15)10-14(12-23-19)9-13-5-7-16(22)8-6-13/h5-8,10-12,24H,3-4,9H2,1-2H3
InChIKeyVVWKVWYYONESIB-UHFFFAOYSA-N
XLogP4.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (CID 58762898) is ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is CCOC(=O)c1cc(CC)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is VVWKVWYYONESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-3-15-11-18(21(25)26-4-2)20(24)19-17(15)10-14(12-23-19)9-13-5-7-16(22)8-6-13/h5-8,10-12,24H,3-4,9H2,1-2H3.
What are the key properties of ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 353.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 58762898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).