(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate

C17H11BrFNO3 — CID 8853363

IUPAC(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1ccc(Br)cc1F)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11BrFNO3/c18-11-6-5-10(14(19)7-11)9-23-17(22)13-8-16(21)20-15-4-2-1-3-12(13)15/h1-8H,9H2,(H,20,21)
InChIKeyYLTWKTZBNQJKFN-UHFFFAOYSA-N
MW376.18 g/mol
LogP3.79
Rot. Bonds3

About (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate

(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8853363) has the molecular formula C17H11BrFNO3 and a molecular weight of 376.18 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8853363
Molecular FormulaC17H11BrFNO3
Molecular Weight376.18 g/mol
Exact Mass374.99
IUPAC Name(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1ccc(Br)cc1F)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11BrFNO3/c18-11-6-5-10(14(19)7-11)9-23-17(22)13-8-16(21)20-15-4-2-1-3-12(13)15/h1-8H,9H2,(H,20,21)
InChIKeyYLTWKTZBNQJKFN-UHFFFAOYSA-N
XLogP3.79
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
CID 4804236
2-(4-bromophenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2094673
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8789210
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
(4-bromo-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706123
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
(2-fluorophenyl)methyl 1H-indole-3-carboxylate
CID 7492710
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 8853363) is (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate is O=C(OCc1ccc(Br)cc1F)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YLTWKTZBNQJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO3/c18-11-6-5-10(14(19)7-11)9-23-17(22)13-8-16(21)20-15-4-2-1-3-12(13)15/h1-8H,9H2,(H,20,21).
What are the key properties of (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 376.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8853363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).