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

C19H15BrFNO3 — CID 58762890

IUPACethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H15BrFNO3/c1-2-25-19(24)15-9-16(20)14-8-12(10-22-17(14)18(15)23)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,2,7H2,1H3
InChIKeyUFUBBAZQDDVWFN-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.61
Rot. Bonds4

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

ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 58762890) has the molecular formula C19H15BrFNO3 and a molecular weight of 404.24 g/mol. Its IUPAC name is ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID58762890
Molecular FormulaC19H15BrFNO3
Molecular Weight404.24 g/mol
Exact Mass403.02
IUPAC Nameethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C19H15BrFNO3/c1-2-25-19(24)15-9-16(20)14-8-12(10-22-17(14)18(15)23)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,2,7H2,1H3
InChIKeyUFUBBAZQDDVWFN-UHFFFAOYSA-N
XLogP4.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-8-methoxyquinoline-7-carboxylic acid;5,7-dibromo-8-methoxyquinoline;ethyl 3,5-bis[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate;ethyl 3,5-bis[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;ethyl 5-bromo-8-methoxyquinoline-7-carboxylate;ethyl 3,5-dibromo-8-methoxyquinoline-7-carboxylate
CID 158568491
3-[(4-fluorophenyl)methyl]-8-hydroxy-7-(2-methoxyethoxycarbonyl)quinoline-5-carboxylic acid
CID 68820294
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
CID 58763105
methyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate
CID 159064342
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
CID 71056445
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
methyl 5-(ethylcarbamoylamino)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 91534837
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
7-(ethylperoxymethyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5-carboxamide
CID 88870180
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)quinoline-7-carboxylate
CID 68821465

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The IUPAC name of ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (CID 58762890) is ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is CCOC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is UFUBBAZQDDVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO3/c1-2-25-19(24)15-9-16(20)14-8-12(10-22-17(14)18(15)23)7-11-3-5-13(21)6-4-11/h3-6,8-10,23H,2,7H2,1H3.
What are the key properties of ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 404.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 58762890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).